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

C12H9ClFN3O — CID 114270026

IUPACN-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide
SMILESNc1cccc(NC(=O)c2cncc(F)c2)c1Cl
InChIInChI=1S/C12H9ClFN3O/c13-11-9(15)2-1-3-10(11)17-12(18)7-4-8(14)6-16-5-7/h1-6H,15H2,(H,17,18)
InChIKeyNMTFRJOPUSELER-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.71
Rot. Bonds2

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

N-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide (PubChem CID 114270026) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is N-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide
PubChem CID114270026
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC NameN-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide
SMILESNc1cccc(NC(=O)c2cncc(F)c2)c1Cl
InChIInChI=1S/C12H9ClFN3O/c13-11-9(15)2-1-3-10(11)17-12(18)7-4-8(14)6-16-5-7/h1-6H,15H2,(H,17,18)
InChIKeyNMTFRJOPUSELER-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

5-fluoro-N-(2-sulfamoylphenyl)pyridine-3-carboxamide
CID 104786397
5-fluoro-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 142723977
5-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786338
N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244353
N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 104785444
N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-5-fluoropyridine-3-carboxamide
CID 104786390
5-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 113287958
N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-5-fluoropyridine-3-carboxamide
CID 104786385
N-(6-chloropyrazin-2-yl)-5-fluoropyridine-3-carboxamide
CID 104819879
N-(5-amino-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 104785368
3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 115867825
5-bromo-N-(3-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 9145915

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide (CID 114270026) is N-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide is Nc1cccc(NC(=O)c2cncc(F)c2)c1Cl.
What is the InChIKey of N-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is NMTFRJOPUSELER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-11-9(15)2-1-3-10(11)17-12(18)7-4-8(14)6-16-5-7/h1-6H,15H2,(H,17,18).
What are the key properties of N-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide?
N-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-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-(3-amino-2-chlorophenyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 114270026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).