6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C13H7F5N2O — CID 115497606

IUPAC6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(F)n1
InChIInChI=1S/C13H7F5N2O/c14-9-5-4-7(6-8(9)13(16,17)18)19-12(21)10-2-1-3-11(15)20-10/h1-6H,(H,19,21)
InChIKeyKCJMVYHRQNYNRI-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.63
Rot. Bonds2

About 6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide

6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 115497606) has the molecular formula C13H7F5N2O and a molecular weight of 302.20 g/mol. Its IUPAC name is 6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID115497606
Molecular FormulaC13H7F5N2O
Molecular Weight302.20 g/mol
Exact Mass302.05
IUPAC Name6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(F)n1
InChIInChI=1S/C13H7F5N2O/c14-9-5-4-7(6-8(9)13(16,17)18)19-12(21)10-2-1-3-11(15)20-10/h1-6H,(H,19,21)
InChIKeyKCJMVYHRQNYNRI-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81312479
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 115497260
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62159635
6-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 64854382
methyl 6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]pyridine-2-carboxylate
CID 60541422
N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115497151
N-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoropyridine-2-carboxamide
CID 115497334
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 71884102

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 115497606) is 6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is KCJMVYHRQNYNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N2O/c14-9-5-4-7(6-8(9)13(16,17)18)19-12(21)10-2-1-3-11(15)20-10/h1-6H,(H,19,21).
What are the key properties of 6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 115497606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).