2-(5-methyl-2-pyridinyl)-4H-azepine

C12H12N2 — CID 144761207

IUPAC2-(5-methyl-2-pyridinyl)-4H-azepine
SMILESCc1ccc(C2=CCC=CC=N2)nc1
InChIInChI=1S/C12H12N2/c1-10-6-7-12(14-9-10)11-5-3-2-4-8-13-11/h2,4-9H,3H2,1H3
InChIKeyUVFAMVUAYAIUGS-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.76
Rot. Bonds1

About 2-(5-methyl-2-pyridinyl)-4H-azepine

2-(5-methyl-2-pyridinyl)-4H-azepine (PubChem CID 144761207) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-4H-azepine.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-4H-azepine
PubChem CID144761207
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-(5-methyl-2-pyridinyl)-4H-azepine
SMILESCc1ccc(C2=CCC=CC=N2)nc1
InChIInChI=1S/C12H12N2/c1-10-6-7-12(14-9-10)11-5-3-2-4-8-13-11/h2,4-9H,3H2,1H3
InChIKeyUVFAMVUAYAIUGS-UHFFFAOYSA-N
XLogP2.76
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyridine
CID 134389528
dichloroosmium;bis(5-methyl-2-(5-methyl-2-pyridinyl)pyridine)
CID 59404466
2-(cyclopenten-1-yl)-5-methylpyridine
CID 57273992
5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine
CID 159579778
2-(2,3-dihydro-1H-tetrazol-5-yl)-5-methylpyridine
CID 144548011
5-methyl-2-[3-methyl-5-(5-methyl-2-pyridinyl)phenyl]pyridine
CID 58637248
2-tert-butyl-4H-azepine
CID 123785365
5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157240275
3,5-bis(5-methyl-2-pyridinyl)-1,6-dihydro-1,4-diazepin-7-one
CID 101048802
copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene
CID 144914085
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine
CID 58261715

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)-4H-azepine?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-4H-azepine (CID 144761207) is 2-(5-methyl-2-pyridinyl)-4H-azepine.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-4H-azepine?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-4H-azepine is Cc1ccc(C2=CCC=CC=N2)nc1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-4H-azepine?
The InChIKey is UVFAMVUAYAIUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-10-6-7-12(14-9-10)11-5-3-2-4-8-13-11/h2,4-9H,3H2,1H3.
What are the key properties of 2-(5-methyl-2-pyridinyl)-4H-azepine?
2-(5-methyl-2-pyridinyl)-4H-azepine has a molecular weight of 184.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-4H-azepine is sourced from PubChem (CID 144761207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).