2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide

C14H12ClFN2O — CID 597845

IUPAC2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2cccc(F)c2)c(Cl)n1
InChIInChI=1S/C14H12ClFN2O/c1-8-6-9(2)17-13(15)12(8)14(19)18-11-5-3-4-10(16)7-11/h3-7H,1-2H3,(H,18,19)
InChIKeyYUAJCSVZQIHMDJ-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.74
Rot. Bonds2

About 2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide

2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 597845) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID597845
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2cccc(F)c2)c(Cl)n1
InChIInChI=1S/C14H12ClFN2O/c1-8-6-9(2)17-13(15)12(8)14(19)18-11-5-3-4-10(16)7-11/h3-7H,1-2H3,(H,18,19)
InChIKeyYUAJCSVZQIHMDJ-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4,6-dimethylnicotinamide
CID 597857
N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 771964
N-benzyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
CID 778137
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880
N-(2-fluorophenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 2795899
2-{[(2-Chloroanilino)carbonyl]amino}-4,6-dimethylnicotinamide
CID 3765547
2,6-dichloro-4-methyl-N-(2-phenylethyl)pyridine-3-carboxamide
CID 3956566
2,6-dichloro-N-[(4-chlorophenyl)methyl]-4-methylpyridine-3-carboxamide
CID 701019
2-Chloro-N-phenyl-3-pyridinecarboxamide
CID 171495
N3-(4-chlorophenyl)-4-(trifluoromethyl)nicotinamide
CID 2726833
2-(3-Chloro-phenylamino)-4,6-dimethyl-nicotinamide
CID 764200
N-(4-chloro-3-(phenylcarbamoyl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 45485735

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide (CID 597845) is 2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(=O)Nc2cccc(F)c2)c(Cl)n1.
What is the InChIKey of 2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is YUAJCSVZQIHMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-6-9(2)17-13(15)12(8)14(19)18-11-5-3-4-10(16)7-11/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide?
2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluorophenyl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 597845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).