2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide

C13H9ClF2N2O — CID 113347090

IUPAC2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(F)cnc2Cl)c1
InChIInChI=1S/C13H9ClF2N2O/c1-7-2-3-10(16)11(4-7)18-13(19)9-5-8(15)6-17-12(9)14/h2-6H,1H3,(H,18,19)
InChIKeyJBHRGSAVDVBSEU-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.57
Rot. Bonds2

About 2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide

2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide (PubChem CID 113347090) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
PubChem CID113347090
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(F)cnc2Cl)c1
InChIInChI=1S/C13H9ClF2N2O/c1-7-2-3-10(16)11(4-7)18-13(19)9-5-8(15)6-17-12(9)14/h2-6H,1H3,(H,18,19)
InChIKeyJBHRGSAVDVBSEU-UHFFFAOYSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 53.57
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-5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 114034241
2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide
CID 113347045
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103892084
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
5-amino-N-(2-fluoro-5-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54916911
N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103891694
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
CID 112702327
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103891998
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide (CID 113347090) is 2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide is Cc1ccc(F)c(NC(=O)c2cc(F)cnc2Cl)c1.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide?
The InChIKey is JBHRGSAVDVBSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c1-7-2-3-10(16)11(4-7)18-13(19)9-5-8(15)6-17-12(9)14/h2-6H,1H3,(H,18,19).
What are the key properties of 2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide?
2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide has a molecular weight of 282.68 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 113347090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).