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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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).