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

C13H7ClF4N2O — CID 110860941

IUPAC2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(Cl)c1F
InChIInChI=1S/C13H7ClF4N2O/c14-11-10(15)9(5-6-19-11)12(21)20-8-3-1-7(2-4-8)13(16,17)18/h1-6H,(H,20,21)
InChIKeyGHNZOBZGYWWZTB-UHFFFAOYSA-N
MW318.66 g/mol
LogP4.15
Rot. Bonds2

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

2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 110860941) has the molecular formula C13H7ClF4N2O and a molecular weight of 318.66 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID110860941
Molecular FormulaC13H7ClF4N2O
Molecular Weight318.66 g/mol
Exact Mass318.02
IUPAC Name2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(Cl)c1F
InChIInChI=1S/C13H7ClF4N2O/c14-11-10(15)9(5-6-19-11)12(21)20-8-3-1-7(2-4-8)13(16,17)18/h1-6H,(H,20,21)
InChIKeyGHNZOBZGYWWZTB-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

3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
4,5-dichloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134151897
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
N-[4-(carbamoylamino)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380731
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 110860941) is 2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(Cl)c1F.
What is the InChIKey of 2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is GHNZOBZGYWWZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4N2O/c14-11-10(15)9(5-6-19-11)12(21)20-8-3-1-7(2-4-8)13(16,17)18/h1-6H,(H,20,21).
What are the key properties of 2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-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-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 110860941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).