2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide

C13H10ClFN2O — CID 61061331

IUPAC2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C13H10ClFN2O/c1-17(11-4-2-10(15)3-5-11)13(18)9-6-7-16-12(14)8-9/h2-8H,1H3
InChIKeyFVIPTBSVAHMVPM-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.15
Rot. Bonds2

About 2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide

2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide (PubChem CID 61061331) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
PubChem CID61061331
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C13H10ClFN2O/c1-17(11-4-2-10(15)3-5-11)13(18)9-6-7-16-12(14)8-9/h2-8H,1H3
InChIKeyFVIPTBSVAHMVPM-UHFFFAOYSA-N
XLogP3.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61062805
2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 103752537
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62175245
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
5-chloro-N-(4-fluorophenyl)-2-hydroxy-N-methylbenzamide
CID 61063244
2-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 60692943
2-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 60692835
2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide (CID 61061331) is 2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccnc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The InChIKey is FVIPTBSVAHMVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-17(11-4-2-10(15)3-5-11)13(18)9-6-7-16-12(14)8-9/h2-8H,1H3.
What are the key properties of 2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide has a molecular weight of 264.69 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 61061331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).