2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol

C38H38N6O — CID 70367440

IUPAC2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol
SMILESC=Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(CCO)ccn2)c1
InChIInChI=1S/C13H14N2O.C13H12N2.C12H12N2/c1-10-2-5-14-12(8-10)13-9-11(4-7-16)3-6-15-13;1-3-11-5-7-15-13(9-11)12-8-10(2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h2-3,5-6,8-9,16H,4,7H2,1H3;3-9H,1H2,2H3;3-8H,1-2H3
InChIKeyCHEHZTYBLNPXIC-UHFFFAOYSA-N
MW594.76 g/mol
LogP7.84
Rot. Bonds6

About 2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol

2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol (PubChem CID 70367440) has the molecular formula C38H38N6O and a molecular weight of 594.76 g/mol. Its IUPAC name is 2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol
PubChem CID70367440
Molecular FormulaC38H38N6O
Molecular Weight594.76 g/mol
Exact Mass594.31
IUPAC Name2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol
SMILESC=Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(CCO)ccn2)c1
InChIInChI=1S/C13H14N2O.C13H12N2.C12H12N2/c1-10-2-5-14-12(8-10)13-9-11(4-7-16)3-6-15-13;1-3-11-5-7-15-13(9-11)12-8-10(2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h2-3,5-6,8-9,16H,4,7H2,1H3;3-9H,1H2,2H3;3-8H,1-2H3
InChIKeyCHEHZTYBLNPXIC-UHFFFAOYSA-N
XLogP7.84
TPSA97.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-Hydroxymethyl-4'-methyl-2,2'-bipyridyl
CID 2754750
13-[1-[13-[1-[13-[1-(13-Pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecyl]pyridin-1-ium-3-yl]tridecyl]pyridin-1-ium-3-yl]tridecan-1-ol triiodide
CID 70696237
1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane
CID 15771932
Osmium(2+), bis(2,2'-bipyridine-N,N')(mu-(1,4-bis((2,2':6',2''-terpyridin)-6-ylmethyl)-1,4-cyclohexanediol-N(sup 1),N(sup 1'),N(sup 1''):N(sup 4),N(sup 4'),N(sup 4''))-dichlorodi-, dichloride
CID 3044407
Dihydroxyosmarine tetrachloride
CID 11980054
6',6''-Di(pyridin-2-yl)-2,2':4',4'':2'',2'''-quaterpyridine
CID 11983112
1-[6-[5-[[bis(2-pyridylmethyl)amino]methyl]-2-pyridyl]-3-pyridyl]-N,N-bis(2-pyridylmethyl)methanamine
CID 16073098
[3,5-Bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methanol
CID 46889626
[(1S,8S,9S)-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]-[(1R,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methanol
CID 394286
Iron(2+), tris(4,4'-dimethyl-2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 85077
2-[3,6-Di(pyridin-2-yl)pyridazin-4-yl]ethan-1-ol
CID 11403184
2-(4'-Methyl-[2,2'-bipyridin]-4-yl)ethan-1-ol
CID 14324169

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol?
The IUPAC name of 2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol (CID 70367440) is 2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol.
What is the SMILES notation for 2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol?
The canonical SMILES for 2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol is C=Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(CCO)ccn2)c1.
What is the InChIKey of 2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol?
The InChIKey is CHEHZTYBLNPXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.C13H12N2.C12H12N2/c1-10-2-5-14-12(8-10)13-9-11(4-7-16)3-6-15-13;1-3-11-5-7-15-13(9-11)12-8-10(2)4-6-14-12;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h2-3,5-6,8-9,16H,4,7H2,1H3;3-9H,1H2,2H3;3-8H,1-2H3.
What are the key properties of 2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol?
2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol has a molecular weight of 594.76 g/mol, XLogP of 7.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-2-pyridinyl)-4-methylpyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol is sourced from PubChem (CID 70367440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).