2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide

C13H9Cl2FN2O — CID 104952423

IUPAC2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)ccc2Cl)cc(Cl)n1
InChIInChI=1S/C13H9Cl2FN2O/c1-7-4-8(5-12(15)17-7)13(19)18-11-6-9(16)2-3-10(11)14/h2-6H,1H3,(H,18,19)
InChIKeyFLAPBIPQODXHJF-UHFFFAOYSA-N
MW299.13 g/mol
LogP4.09
Rot. Bonds2

About 2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide

2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide (PubChem CID 104952423) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
PubChem CID104952423
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)ccc2Cl)cc(Cl)n1
InChIInChI=1S/C13H9Cl2FN2O/c1-7-4-8(5-12(15)17-7)13(19)18-11-6-9(16)2-3-10(11)14/h2-6H,1H3,(H,18,19)
InChIKeyFLAPBIPQODXHJF-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.09
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

N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 107531327
N-(2-chloro-5-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107530898
2,6-dichloro-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 26722050
N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956903
3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264990
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 113378489
3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104952774
3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide
CID 107526613
N-(2-chloro-5-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 103733508

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide (CID 104952423) is 2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(F)ccc2Cl)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide?
The InChIKey is FLAPBIPQODXHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c1-7-4-8(5-12(15)17-7)13(19)18-11-6-9(16)2-3-10(11)14/h2-6H,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide?
2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 104952423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).