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

C12H9F2N3O — CID 107333949

IUPACN-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESNc1cc(F)cc(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C12H9F2N3O/c13-7-1-2-11(16-6-7)12(18)17-10-4-8(14)3-9(15)5-10/h1-6H,15H2,(H,17,18)
InChIKeyZUINAFIYGSXTHW-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.19
Rot. Bonds2

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

N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 107333949) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
PubChem CID107333949
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC NameN-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESNc1cc(F)cc(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C12H9F2N3O/c13-7-1-2-11(16-6-7)12(18)17-10-4-8(14)3-9(15)5-10/h1-6H,15H2,(H,17,18)
InChIKeyZUINAFIYGSXTHW-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-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107334173
N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040790
4-amino-N-(3,5-difluorophenyl)pyridine-2-carboxamide
CID 55041778
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
N-(3-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 107333935
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937
3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638360
N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide
CID 107334076
5-bromo-N-(3-chloro-5-fluorophenyl)pyridine-2-carboxamide
CID 113259351
5-[(5-fluoropyridine-2-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 104638237
5-amino-N-(2,6-dichloro-4-fluorophenyl)pyridine-2-carboxamide
CID 83076458
N-[4-[(2E)-2-amino-2-hydroxyiminoethyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 104639473

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide (CID 107333949) is N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide is Nc1cc(F)cc(NC(=O)c2ccc(F)cn2)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is ZUINAFIYGSXTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-7-1-2-11(16-6-7)12(18)17-10-4-8(14)3-9(15)5-10/h1-6H,15H2,(H,17,18).
What are the key properties of N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide?
N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-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-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 107333949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).