3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide

C12H9ClFN3O — CID 105068435

IUPAC3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
SMILESNc1cnccc1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C12H9ClFN3O/c13-8-2-1-3-10(11(8)14)17-12(18)7-4-5-16-6-9(7)15/h1-6H,15H2,(H,17,18)
InChIKeyFHYJQHLASVFPAU-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.71
Rot. Bonds2

About 3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide

3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide (PubChem CID 105068435) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
PubChem CID105068435
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
SMILESNc1cnccc1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C12H9ClFN3O/c13-8-2-1-3-10(11(8)14)17-12(18)7-4-5-16-6-9(7)15/h1-6H,15H2,(H,17,18)
InChIKeyFHYJQHLASVFPAU-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

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Related Compounds

3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071
3-amino-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 110859044
3-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 66482898
3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 81266249
3-amino-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 23633068
3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 105068439
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
2-amino-3-chloro-N-isoquinolin-5-ylbenzamide
CID 115540126
N-(2,3-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443246
3-chloro-N-(3-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 66484528
N-(5-amino-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 64950063
2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 55041638

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide (CID 105068435) is 3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide is Nc1cnccc1C(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of 3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is FHYJQHLASVFPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-8-2-1-3-10(11(8)14)17-12(18)7-4-5-16-6-9(7)15/h1-6H,15H2,(H,17,18).
What are the key properties of 3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide?
3-amino-N-(3-chloro-2-fluorophenyl)pyridine-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 3-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105068435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).