N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide

C12H9F2N3O — CID 104785444

IUPACN-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
SMILESNc1ccc(NC(=O)c2cncc(F)c2)cc1F
InChIInChI=1S/C12H9F2N3O/c13-8-3-7(5-16-6-8)12(18)17-9-1-2-11(15)10(14)4-9/h1-6H,15H2,(H,17,18)
InChIKeyHBLUESXVOOVIFC-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.19
Rot. Bonds2

About N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide

N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide (PubChem CID 104785444) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
PubChem CID104785444
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC NameN-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
SMILESNc1ccc(NC(=O)c2cncc(F)c2)cc1F
InChIInChI=1S/C12H9F2N3O/c13-8-3-7(5-16-6-8)12(18)17-9-1-2-11(15)10(14)4-9/h1-6H,15H2,(H,17,18)
InChIKeyHBLUESXVOOVIFC-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-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334
5-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 113287958
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-fluoropyridine-3-carboxamide
CID 104786329
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
5-fluoro-N-[4-(1-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 104786162
N-(4-amino-1-methylpyrazol-5-yl)-5-fluoropyridine-3-carboxamide
CID 113452799
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104786611
4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 114254070
2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride
CID 104785745
N-carbamoyl-5-fluoropyridine-3-carboxamide
CID 104786685

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide (CID 104785444) is N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide is Nc1ccc(NC(=O)c2cncc(F)c2)cc1F.
What is the InChIKey of N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is HBLUESXVOOVIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-8-3-7(5-16-6-8)12(18)17-9-1-2-11(15)10(14)4-9/h1-6H,15H2,(H,17,18).
What are the key properties of N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide?
N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-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-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104785444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).