N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide

C12H9F2N3O — CID 81315197

IUPACN-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide
SMILESNc1cccc(F)c1NC(=O)c1ccncc1F
InChIInChI=1S/C12H9F2N3O/c13-8-2-1-3-10(15)11(8)17-12(18)7-4-5-16-6-9(7)14/h1-6H,15H2,(H,17,18)
InChIKeyZRISVBNWRWJNTN-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.19
Rot. Bonds2

About N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide

N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 81315197) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide
PubChem CID81315197
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC NameN-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide
SMILESNc1cccc(F)c1NC(=O)c1ccncc1F
InChIInChI=1S/C12H9F2N3O/c13-8-2-1-3-10(15)11(8)17-12(18)7-4-5-16-6-9(7)14/h1-6H,15H2,(H,17,18)
InChIKeyZRISVBNWRWJNTN-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.19
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-(2-amino-6-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951439
N-(3-amino-2,6-dimethylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950848
2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
N-(2-fluoro-6-methylphenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105071404
2-amino-N-(2,6-difluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105384666
N-(2-amino-6-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81314667
3-fluoro-N-(6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 115645542
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 107467316
4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
CID 81245018
3-amino-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 23633068

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide (CID 81315197) is N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide is Nc1cccc(F)c1NC(=O)c1ccncc1F.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is ZRISVBNWRWJNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-8-2-1-3-10(15)11(8)17-12(18)7-4-5-16-6-9(7)14/h1-6H,15H2,(H,17,18).
What are the key properties of N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide?
N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 249.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 81315197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).