N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide

C13H10ClFN2O2 — CID 113323350

IUPACN-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(F)n1
InChIInChI=1S/C13H10ClFN2O2/c1-19-11-6-5-8(14)7-10(11)17-13(18)9-3-2-4-12(15)16-9/h2-7H,1H3,(H,17,18)
InChIKeyRJLKAOQWPCFVKY-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.13
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide (PubChem CID 113323350) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
PubChem CID113323350
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(F)n1
InChIInChI=1S/C13H10ClFN2O2/c1-19-11-6-5-8(14)7-10(11)17-13(18)9-3-2-4-12(15)16-9/h2-7H,1H3,(H,17,18)
InChIKeyRJLKAOQWPCFVKY-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 115496886
6-N-(5-chloro-2-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099986
N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409
6-N-(5-chloro-2-methoxyphenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095751
N-(4,5-dimethoxy-2-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496998
N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497281
2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095044
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
6-N-(5-chloro-2-methoxyphenyl)-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109099375
6-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096371
N-(5-chloro-2-methoxyphenyl)-3-[(6-fluoro-2-pyridinyl)amino]propanamide
CID 71981389

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide (CID 113323350) is N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cccc(F)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is RJLKAOQWPCFVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-19-11-6-5-8(14)7-10(11)17-13(18)9-3-2-4-12(15)16-9/h2-7H,1H3,(H,17,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 280.69 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 113323350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).