N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide

C12H9ClFN3O — CID 64950063

IUPACN-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
SMILESNc1ccc(Cl)c(NC(=O)c2ccncc2F)c1
InChIInChI=1S/C12H9ClFN3O/c13-9-2-1-7(15)5-11(9)17-12(18)8-3-4-16-6-10(8)14/h1-6H,15H2,(H,17,18)
InChIKeyJWUYQEMDGLVQEQ-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.71
Rot. Bonds2

About N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide

N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 64950063) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
PubChem CID64950063
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC NameN-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
SMILESNc1ccc(Cl)c(NC(=O)c2ccncc2F)c1
InChIInChI=1S/C12H9ClFN3O/c13-9-2-1-7(15)5-11(9)17-12(18)8-3-4-16-6-10(8)14/h1-6H,15H2,(H,17,18)
InChIKeyJWUYQEMDGLVQEQ-UHFFFAOYSA-N
XLogP2.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 71917356
N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949859
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
5-amino-2-chloro-N-(4-methyl-3-pyridinyl)benzamide
CID 55202646
5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
CID 107594566
N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide
CID 43548813
N-(5-amino-2-fluorophenyl)-3-methoxypyridine-4-carboxamide
CID 105062950
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide (CID 64950063) is N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide is Nc1ccc(Cl)c(NC(=O)c2ccncc2F)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is JWUYQEMDGLVQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-9-2-1-7(15)5-11(9)17-12(18)8-3-4-16-6-10(8)14/h1-6H,15H2,(H,17,18).
What are the key properties of N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide?
N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 265.68 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64950063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).