N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide

C12H7ClF2N2O — CID 107362716

IUPACN-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cccnc1F
InChIInChI=1S/C12H7ClF2N2O/c13-7-3-4-10(9(14)6-7)17-12(18)8-2-1-5-16-11(8)15/h1-6H,(H,17,18)
InChIKeyCBYWAIQGPBGAJZ-UHFFFAOYSA-N
MW268.65 g/mol
LogP3.27
Rot. Bonds2

About N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide

N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide (PubChem CID 107362716) has the molecular formula C12H7ClF2N2O and a molecular weight of 268.65 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
PubChem CID107362716
Molecular FormulaC12H7ClF2N2O
Molecular Weight268.65 g/mol
Exact Mass268.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cccnc1F
InChIInChI=1S/C12H7ClF2N2O/c13-7-3-4-10(9(14)6-7)17-12(18)8-2-1-5-16-11(8)15/h1-6H,(H,17,18)
InChIKeyCBYWAIQGPBGAJZ-UHFFFAOYSA-N
XLogP3.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-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

2-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 103751818
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78804077
N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107358819
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470
2-amino-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 62154779
N-(6-chloro-5-fluoro-3-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 177336273
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883
2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107358587
2-chloro-N-(4-chloro-2-fluorophenyl)furan-3-carboxamide
CID 106685654
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide (CID 107362716) is N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1F)c1cccnc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide?
The InChIKey is CBYWAIQGPBGAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O/c13-7-3-4-10(9(14)6-7)17-12(18)8-2-1-5-16-11(8)15/h1-6H,(H,17,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide?
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide has a molecular weight of 268.65 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107362716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).