9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine

C11H9F3N2 — CID 144677748

IUPAC9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine
SMILESCC1=c2ncc(C(F)(F)F)cc2=CCC=N1
InChIInChI=1S/C11H9F3N2/c1-7-10-8(3-2-4-15-7)5-9(6-16-10)11(12,13)14/h3-6H,2H2,1H3
InChIKeyOWWQQMZARXVKGA-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.48
Rot. Bonds

About 9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine

9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine (PubChem CID 144677748) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine.

Molecular Properties

Compound Name9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine
PubChem CID144677748
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine
SMILESCC1=c2ncc(C(F)(F)F)cc2=CCC=N1
InChIInChI=1S/C11H9F3N2/c1-7-10-8(3-2-4-15-7)5-9(6-16-10)11(12,13)14/h3-6H,2H2,1H3
InChIKeyOWWQQMZARXVKGA-UHFFFAOYSA-N
XLogP1.48
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334
(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
CID 130414005
6-fluoro-7-methyl-4-(trifluoromethyl)-3H-azepine
CID 137467808
N-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimine
CID 139320155
(2Z)-2-(1-fluoroprop-2-enylidene)-3-methylidenepyridine
CID 144425521
N-[(1E)-1-[3-methylidene-5-(trifluoromethyl)-2-pyridinylidene]ethyl]ethanimine
CID 144677811
2-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepine
CID 154378465
6-methyl-4-(trifluoromethyl)-2H-azepine
CID 156452690

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine?
The IUPAC name of 9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine (CID 144677748) is 9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine.
What is the SMILES notation for 9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine?
The canonical SMILES for 9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine is CC1=c2ncc(C(F)(F)F)cc2=CCC=N1.
What is the InChIKey of 9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine?
The InChIKey is OWWQQMZARXVKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c1-7-10-8(3-2-4-15-7)5-9(6-16-10)11(12,13)14/h3-6H,2H2,1H3.
What are the key properties of 9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine?
9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine has a molecular weight of 226.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(trifluoromethyl)-6H-pyrido[2,3-c]azepine is sourced from PubChem (CID 144677748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).