3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide

C13H7Cl4FN2O — CID 26239940

IUPAC3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H7Cl4FN2O/c1-5-4-6(18)2-3-7(5)19-13(21)11-9(15)8(14)10(16)12(17)20-11/h2-4H,1H3,(H,19,21)
InChIKeyFMJSCZHPTAOASX-UHFFFAOYSA-N
MW368.02 g/mol
LogP5.40
Rot. Bonds2

About 3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide

3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 26239940) has the molecular formula C13H7Cl4FN2O and a molecular weight of 368.02 g/mol. Its IUPAC name is 3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID26239940
Molecular FormulaC13H7Cl4FN2O
Molecular Weight368.02 g/mol
Exact Mass365.93
IUPAC Name3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H7Cl4FN2O/c1-5-4-6(18)2-3-7(5)19-13(21)11-9(15)8(14)10(16)12(17)20-11/h2-4H,1H3,(H,19,21)
InChIKeyFMJSCZHPTAOASX-UHFFFAOYSA-N
XLogP5.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.02
LogP ≤ 55.40
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

3,4,5,6-tetrachloro-N-(3,5-difluorophenyl)pyridine-2-carboxamide
CID 27906964
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
3-chloro-6-(ethylamino)-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62165196
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077
5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide
CID 107183229
4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35591245
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
2-chloro-N-(4-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 2780354
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332
N-(4-fluoro-2-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642384

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide (CID 26239940) is 3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is FMJSCZHPTAOASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4FN2O/c1-5-4-6(18)2-3-7(5)19-13(21)11-9(15)8(14)10(16)12(17)20-11/h2-4H,1H3,(H,19,21).
What are the key properties of 3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 368.02 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrachloro-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 26239940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).