3-Ethylpyridine

PubChem CID: 10823

Connections displayed (default: 10).

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Compound Synonyms	3-ETHYLPYRIDINE, 536-78-7, Pyridine, 3-ethyl-, beta-Ethylpyridine, 3-Ethyl pyridine, 3-Ethyl-pyridine, beta-Lutidine, 5-Ethylpyridine, Lutidine, beta-, FEMA No. 3394, UNII-A25I3EZ88V, A25I3EZ88V, 3-(C2H5)-pyridine, EINECS 208-647-2, MFCD00006413, 3-ETHYLPYRIDINE [MI], 3-ETHYLPYRIDINE [FHFI], DTXSID6060212, 3-ETHYL PYRIDINE [FCC], FEMA 3394, 151103-56-9, Pyridine, 3-ethyl-, radical ion(1+) (9CI), 3-Ethylpyridine, 98%, SCHEMBL10607, CHEMBL23025, ss-Ethylpyridine, ss-Lutidine, SCHEMBL8516557, SCHEMBL8516560, DTXCID6041478, 3-Ethylpyridine, >=98%, FG, CHEBI:169025, AKOS009031547, DS-2812, FE35633, 3-Ethylpyridine, technical grade, 94%, BP-11274, DB-016004, A7811, E0169, NS00012460, EN300-20087, D87724, Q27273525, Z104476778, 208-647-2
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Np Classifier Class	Pyridine alkaloids
Deep Smiles	CCccccnc6
Heavy Atom Count	8.0
Classyfire Class	Pyridines and derivatives
Description	Present in cooked chicken, cooked beef, beer, coffee, black tea, and raw fish. Flavouring ingredient. 3-Ethylpyridine is found in many foods, some of which are animal foods, alcoholic beverages, fishes, and coffee and coffee products.
Scaffold Graph Node Level	C1CCNCC1
Isotope Atom Count	0.0
Molecular Complexity	61.4
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q05941
Iupac Name	3-ethylpyridine
Prediction Hob	1.0
Class	Pyridines and derivatives
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	1.7
Superclass	Organoheterocyclic compounds
Gsk 4 400 Rule	True
Molecular Formula	C7H9N
Scaffold Graph Node Bond Level	c1ccncc1
Prediction Swissadme	0.0
Inchi Key	MFEIKQPHQINPRI-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.2857142857142857
Logs	0.125
Rotatable Bond Count	1.0
State	Liquid
Logd	1.449
Synonyms	5-Ethylpyridine, Beta-ethylpyridine, beta-Lutidine, FEMA 3394, Lutidine, beta-, Pyridine, 3-ethyl-, 3-Ethyl-pyridine, beta-Ethylpyridine, 3-ethylpyridine
Substituent Name	Pyridine, Heteroaromatic compound, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteromonocyclic compound
Esol Class	Soluble
Functional Groups	cnc
Compound Name	3-Ethylpyridine
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	107.073
Formal Charge	0.0
Monoisotopic Mass	107.073
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	107.15
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteromonocyclic compounds
Lipinski Rule Of 5	True
Esol	-2.0391671999999996
Inchi	InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3
Smiles	CCC1=CN=CC=C1
Nring	1.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Pyridines and derivatives
Np Classifier Superclass	Nicotinic acid alkaloids

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110. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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3-Ethylpyridine

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Phytochemical Properties

Associated Connections 110

Plant Connections 110