6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide

C13H10ClFN2O3S — CID 62234738

IUPAC6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C13H10ClFN2O3S/c1-21(19,20)8-5-6-9(15)11(7-8)17-13(18)10-3-2-4-12(14)16-10/h2-7H,1H3,(H,17,18)
InChIKeyVMLTYCWGSTWLCR-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.53
Rot. Bonds3

About 6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide

6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide (PubChem CID 62234738) has the molecular formula C13H10ClFN2O3S and a molecular weight of 328.75 g/mol. Its IUPAC name is 6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide
PubChem CID62234738
Molecular FormulaC13H10ClFN2O3S
Molecular Weight328.75 g/mol
Exact Mass328.01
IUPAC Name6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C13H10ClFN2O3S/c1-21(19,20)8-5-6-9(15)11(7-8)17-13(18)10-3-2-4-12(14)16-10/h2-7H,1H3,(H,17,18)
InChIKeyVMLTYCWGSTWLCR-UHFFFAOYSA-N
XLogP2.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 63035993
2-(3-chlorophenyl)-N-(2-fluoro-5-methylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 112795184
N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 31930381
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
4-fluoro-N-(2-fluoro-5-methylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 31931032
6-amino-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 62239804
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
CID 107301164
2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide
CID 31929454
tert-butyl N-(2-fluoro-5-methylsulfonylphenyl)carbamate
CID 65143064
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688137

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide (CID 62234738) is 6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide is CS(=O)(=O)c1ccc(F)c(NC(=O)c2cccc(Cl)n2)c1.
What is the InChIKey of 6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide?
The InChIKey is VMLTYCWGSTWLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3S/c1-21(19,20)8-5-6-9(15)11(7-8)17-13(18)10-3-2-4-12(14)16-10/h2-7H,1H3,(H,17,18).
What are the key properties of 6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide?
6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide has a molecular weight of 328.75 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62234738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).