2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide

C14H12ClFN2O — CID 113347045

IUPAC2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc(F)cnc2Cl)c1C
InChIInChI=1S/C14H12ClFN2O/c1-8-4-3-5-12(9(8)2)18-14(19)11-6-10(16)7-17-13(11)15/h3-7H,1-2H3,(H,18,19)
InChIKeyBSCFZBFIEQXNMR-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.74
Rot. Bonds2

About 2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide

2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide (PubChem CID 113347045) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide
PubChem CID113347045
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc(F)cnc2Cl)c1C
InChIInChI=1S/C14H12ClFN2O/c1-8-4-3-5-12(9(8)2)18-14(19)11-6-10(16)7-17-13(11)15/h3-7H,1-2H3,(H,18,19)
InChIKeyBSCFZBFIEQXNMR-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-5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 114034241
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103892084
N-(2-carbamoylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103891694
2-chloro-5-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 113347090
2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2800027
2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103891998
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249
N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide (CID 113347045) is 2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide is Cc1cccc(NC(=O)c2cc(F)cnc2Cl)c1C.
What is the InChIKey of 2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is BSCFZBFIEQXNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-4-3-5-12(9(8)2)18-14(19)11-6-10(16)7-17-13(11)15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide?
2-chloro-N-(2,3-dimethylphenyl)-5-fluoropyridine-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-(2,3-dimethylphenyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 113347045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).