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

C13H7Cl2F3N2O — CID 66464004

IUPAC3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1Cl
InChIInChI=1S/C13H7Cl2F3N2O/c14-9-2-1-7(13(16,17)18)5-11(9)20-12(21)8-3-4-19-6-10(8)15/h1-6H,(H,20,21)
InChIKeySOZUIBQBIQZXGM-UHFFFAOYSA-N
MW335.11 g/mol
LogP4.66
Rot. Bonds2

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

3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 66464004) has the molecular formula C13H7Cl2F3N2O and a molecular weight of 335.11 g/mol. Its IUPAC name is 3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID66464004
Molecular FormulaC13H7Cl2F3N2O
Molecular Weight335.11 g/mol
Exact Mass333.99
IUPAC Name3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1Cl
InChIInChI=1S/C13H7Cl2F3N2O/c14-9-2-1-7(13(16,17)18)5-11(9)20-12(21)8-3-4-19-6-10(8)15/h1-6H,(H,20,21)
InChIKeySOZUIBQBIQZXGM-UHFFFAOYSA-N
XLogP4.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.11
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66464357
3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062553
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
3-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 66484687
2-chloro-N-pyrazin-2-yl-4-(trifluoromethyl)benzamide
CID 75508828
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 110861901
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110299286
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 132587573
2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103874425
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 66464004) is 3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is SOZUIBQBIQZXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N2O/c14-9-2-1-7(13(16,17)18)5-11(9)20-12(21)8-3-4-19-6-10(8)15/h1-6H,(H,20,21).
What are the key properties of 3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 335.11 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 66464004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).