N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide

C13H10ClFN2O — CID 110474858

IUPACN-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ncccc2F)cc1Cl
InChIInChI=1S/C13H10ClFN2O/c1-8-4-5-9(7-10(8)14)17-13(18)12-11(15)3-2-6-16-12/h2-7H,1H3,(H,17,18)
InChIKeyDOZYSHTXRHETHL-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.43
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide

N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide (PubChem CID 110474858) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide
PubChem CID110474858
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC NameN-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ncccc2F)cc1Cl
InChIInChI=1S/C13H10ClFN2O/c1-8-4-5-9(7-10(8)14)17-13(18)12-11(15)3-2-6-16-12/h2-7H,1H3,(H,17,18)
InChIKeyDOZYSHTXRHETHL-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
N-(2,5-dimethylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474800
N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 20866916
2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154756
N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474859
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086459
N-(3-chloro-4-sulfamoylphenyl)-3-methylpyridine-2-carboxamide
CID 62339142
N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109293155
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
N-(3-chloro-4-methylphenyl)pyrido[2,3-b]pyrazine-7-carboxamide
CID 110859289

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide (CID 110474858) is N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide is Cc1ccc(NC(=O)c2ncccc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide?
The InChIKey is DOZYSHTXRHETHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-8-4-5-9(7-10(8)14)17-13(18)12-11(15)3-2-6-16-12/h2-7H,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide has a molecular weight of 264.69 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 110474858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).