2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C13H7ClF4N2O — CID 87757105

IUPAC2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cnc1Cl
InChIInChI=1S/C13H7ClF4N2O/c14-11-10(5-8(15)6-19-11)12(21)20-9-3-1-7(2-4-9)13(16,17)18/h1-6H,(H,20,21)
InChIKeyKEMZTBUKCIPLLA-UHFFFAOYSA-N
MW318.66 g/mol
LogP4.15
Rot. Bonds2

About 2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 87757105) has the molecular formula C13H7ClF4N2O and a molecular weight of 318.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID87757105
Molecular FormulaC13H7ClF4N2O
Molecular Weight318.66 g/mol
Exact Mass318.02
IUPAC Name2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cnc1Cl
InChIInChI=1S/C13H7ClF4N2O/c14-11-10(5-8(15)6-19-11)12(21)20-9-3-1-7(2-4-9)13(16,17)18/h1-6H,(H,20,21)
InChIKeyKEMZTBUKCIPLLA-UHFFFAOYSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.66
LogP ≤ 54.15
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-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
CID 103891458
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
CID 114034323
N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114034261
2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860941
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 103891962

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 87757105) is 2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is KEMZTBUKCIPLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4N2O/c14-11-10(5-8(15)6-19-11)12(21)20-9-3-1-7(2-4-9)13(16,17)18/h1-6H,(H,20,21).
What are the key properties of 2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 318.66 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 87757105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).