N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide

C12H7F3N2O — CID 70841188

IUPACN-(2,3,6-trifluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1c(F)ccc(F)c1F)c1ccncc1
InChIInChI=1S/C12H7F3N2O/c13-8-1-2-9(14)11(10(8)15)17-12(18)7-3-5-16-6-4-7/h1-6H,(H,17,18)
InChIKeyQJAQIUHYTMJYKR-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.75
Rot. Bonds2

About N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide

N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide (PubChem CID 70841188) has the molecular formula C12H7F3N2O and a molecular weight of 252.20 g/mol. Its IUPAC name is N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3,6-trifluorophenyl)pyridine-4-carboxamide
PubChem CID70841188
Molecular FormulaC12H7F3N2O
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC NameN-(2,3,6-trifluorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1c(F)ccc(F)c1F)c1ccncc1
InChIInChI=1S/C12H7F3N2O/c13-8-1-2-9(14)11(10(8)15)17-12(18)7-3-5-16-6-4-7/h1-6H,(H,17,18)
InChIKeyQJAQIUHYTMJYKR-UHFFFAOYSA-N
XLogP2.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide 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

N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 47450883
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
CID 100692060
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-(2-amino-4-fluorophenyl)pyridine-4-carboxamide
CID 16772506
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696

Frequently Asked Questions

What is the IUPAC name of N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide?
The IUPAC name of N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide (CID 70841188) is N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide is O=C(Nc1c(F)ccc(F)c1F)c1ccncc1.
What is the InChIKey of N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide?
The InChIKey is QJAQIUHYTMJYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O/c13-8-1-2-9(14)11(10(8)15)17-12(18)7-3-5-16-6-4-7/h1-6H,(H,17,18).
What are the key properties of N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide?
N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide has a molecular weight of 252.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,6-trifluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 70841188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).