6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

C14H10ClF3N2O2 — CID 41369460

IUPAC6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C14H10ClF3N2O2/c15-12-6-5-9(7-19-12)13(21)20-10-3-1-2-4-11(10)22-8-14(16,17)18/h1-7H,8H2,(H,20,21)
InChIKeyLNKOAKJHBFTDNA-UHFFFAOYSA-N
MW330.69 g/mol
LogP3.93
Rot. Bonds4

About 6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 41369460) has the molecular formula C14H10ClF3N2O2 and a molecular weight of 330.69 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID41369460
Molecular FormulaC14H10ClF3N2O2
Molecular Weight330.69 g/mol
Exact Mass330.04
IUPAC Name6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C14H10ClF3N2O2/c15-12-6-5-9(7-19-12)13(21)20-10-3-1-2-4-11(10)22-8-14(16,17)18/h1-7H,8H2,(H,20,21)
InChIKeyLNKOAKJHBFTDNA-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.69
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 52803644
6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 36661694
6-chloro-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26243696
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81343163
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
CID 18273877
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
4-amino-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 63103575
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33370284
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (CID 41369460) is 6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is LNKOAKJHBFTDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O2/c15-12-6-5-9(7-19-12)13(21)20-10-3-1-2-4-11(10)22-8-14(16,17)18/h1-7H,8H2,(H,20,21).
What are the key properties of 6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 330.69 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 41369460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).