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

C13H7ClF4N2O — CID 63035993

IUPAC6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(Cl)n1
InChIInChI=1S/C13H7ClF4N2O/c14-11-3-1-2-9(19-11)12(21)20-10-6-7(13(16,17)18)4-5-8(10)15/h1-6H,(H,20,21)
InChIKeyYHQFFONMDDFSGZ-UHFFFAOYSA-N
MW318.66 g/mol
LogP4.15
Rot. Bonds2

About 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 63035993) has the molecular formula C13H7ClF4N2O and a molecular weight of 318.66 g/mol. Its IUPAC name is 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID63035993
Molecular FormulaC13H7ClF4N2O
Molecular Weight318.66 g/mol
Exact Mass318.02
IUPAC Name6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(Cl)n1
InChIInChI=1S/C13H7ClF4N2O/c14-11-3-1-2-9(19-11)12(21)20-10-6-7(13(16,17)18)4-5-8(10)15/h1-6H,(H,20,21)
InChIKeyYHQFFONMDDFSGZ-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

6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 62234738
6-amino-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 62239804
2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66381003
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
4-fluoro-3-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496348
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 62232716
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 63049440
2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 62239394
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 4134181

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 63035993) is 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is YHQFFONMDDFSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4N2O/c14-11-3-1-2-9(19-11)12(21)20-10-6-7(13(16,17)18)4-5-8(10)15/h1-6H,(H,20,21).
What are the key properties of 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-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 6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 63035993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).