2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide

C7H4ClF3N2O — CID 2778438

IUPAC2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C7H4ClF3N2O/c8-5-3(6(12)14)1-2-4(13-5)7(9,10)11/h1-2H,(H2,12,14)
InChIKeyJBTBDGVGPLLRLS-UHFFFAOYSA-N
MW224.57 g/mol
LogP1.85
Rot. Bonds1

About 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide

2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2778438) has the molecular formula C7H4ClF3N2O and a molecular weight of 224.57 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2778438
Molecular FormulaC7H4ClF3N2O
Molecular Weight224.57 g/mol
Exact Mass224.00
IUPAC Name2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C7H4ClF3N2O/c8-5-3(6(12)14)1-2-4(13-5)7(9,10)11/h1-2H,(H2,12,14)
InChIKeyJBTBDGVGPLLRLS-UHFFFAOYSA-N
XLogP1.85
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.57
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2778438) is 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JBTBDGVGPLLRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O/c8-5-3(6(12)14)1-2-4(13-5)7(9,10)11/h1-2H,(H2,12,14).
What are the key properties of 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide?
2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 224.57 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2778438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).