N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C13H9F4N3O — CID 107334173

IUPACN-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1cc(F)cc(NC(=O)c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C13H9F4N3O/c14-8-3-9(18)5-10(4-8)20-12(21)11-2-1-7(6-19-11)13(15,16)17/h1-6H,18H2,(H,20,21)
InChIKeyNUPKBUUUYRDDMZ-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.07
Rot. Bonds2

About N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 107334173) has the molecular formula C13H9F4N3O and a molecular weight of 299.23 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID107334173
Molecular FormulaC13H9F4N3O
Molecular Weight299.23 g/mol
Exact Mass299.07
IUPAC NameN-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1cc(F)cc(NC(=O)c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C13H9F4N3O/c14-8-3-9(18)5-10(4-8)20-12(21)11-2-1-7(6-19-11)13(15,16)17/h1-6H,18H2,(H,20,21)
InChIKeyNUPKBUUUYRDDMZ-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.07
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-fluoropyridine-2-carboxamide
CID 107333949
N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114750435
N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040790
N-(2-amino-4-chlorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908264
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103745352
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
N-(4-hydroxy-3-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115751923
4-amino-N-(3,5-difluorophenyl)pyridine-2-carboxamide
CID 55041778
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81312479

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 107334173) is N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is Nc1cc(F)cc(NC(=O)c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NUPKBUUUYRDDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N3O/c14-8-3-9(18)5-10(4-8)20-12(21)11-2-1-7(6-19-11)13(15,16)17/h1-6H,18H2,(H,20,21).
What are the key properties of N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 299.23 g/mol, XLogP of 3.07, 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-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107334173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).