5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide

C12H10ClFN4O — CID 61359759

IUPAC5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFN4O/c13-9-4-7(1-2-10(9)14)18-12-8(11(16)19)3-6(15)5-17-12/h1-5H,15H2,(H2,16,19)(H,17,18)
InChIKeyJCSXKFAYXPJZTE-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.30
Rot. Bonds3

About 5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide

5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide (PubChem CID 61359759) has the molecular formula C12H10ClFN4O and a molecular weight of 280.69 g/mol. Its IUPAC name is 5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
PubChem CID61359759
Molecular FormulaC12H10ClFN4O
Molecular Weight280.69 g/mol
Exact Mass280.05
IUPAC Name5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFN4O/c13-9-4-7(1-2-10(9)14)18-12-8(11(16)19)3-6(15)5-17-12/h1-5H,15H2,(H2,16,19)(H,17,18)
InChIKeyJCSXKFAYXPJZTE-UHFFFAOYSA-N
XLogP2.30
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
CID 61358006
5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide
CID 61359558
5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 61358785
3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949
5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
CID 61227501
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide
CID 103584436
5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
CID 82857322
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
CID 107571322
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 61358389
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide (CID 61359759) is 5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is JCSXKFAYXPJZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4O/c13-9-4-7(1-2-10(9)14)18-12-8(11(16)19)3-6(15)5-17-12/h1-5H,15H2,(H2,16,19)(H,17,18).
What are the key properties of 5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide?
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 280.69 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 61359759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).