2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide

C7H3Cl2F3N2O — CID 2736874

IUPAC2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)cc(Cl)nc1Cl
InChIInChI=1S/C7H3Cl2F3N2O/c8-3-1-2(7(10,11)12)4(6(13)15)5(9)14-3/h1H,(H2,13,15)
InChIKeyKPMYDDLYJBPUEY-UHFFFAOYSA-N
MW259.01 g/mol
LogP2.51
Rot. Bonds1

About 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide

2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2736874) has the molecular formula C7H3Cl2F3N2O and a molecular weight of 259.01 g/mol. Its IUPAC name is 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2736874
Molecular FormulaC7H3Cl2F3N2O
Molecular Weight259.01 g/mol
Exact Mass257.96
IUPAC Name2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)cc(Cl)nc1Cl
InChIInChI=1S/C7H3Cl2F3N2O/c8-3-1-2(7(10,11)12)4(6(13)15)5(9)14-3/h1H,(H2,13,15)
InChIKeyKPMYDDLYJBPUEY-UHFFFAOYSA-N
XLogP2.51
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.01
LogP ≤ 52.51
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 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2736874) is 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1c(C(F)(F)F)cc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KPMYDDLYJBPUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3N2O/c8-3-1-2(7(10,11)12)4(6(13)15)5(9)14-3/h1H,(H2,13,15).
What are the key properties of 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide?
2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 259.01 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2736874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).