3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C13H13Cl2F3N2O — CID 60716732

IUPAC3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2F3N2O/c1-7(8-2-3-8)20(6-13(16,17)18)12(21)11-9(14)4-5-10(15)19-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyOISNHPDPSJTQGX-UHFFFAOYSA-N
MW341.16 g/mol
LogP4.19
Rot. Bonds4

About 3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 60716732) has the molecular formula C13H13Cl2F3N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID60716732
Molecular FormulaC13H13Cl2F3N2O
Molecular Weight341.16 g/mol
Exact Mass340.04
IUPAC Name3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2F3N2O/c1-7(8-2-3-8)20(6-13(16,17)18)12(21)11-9(14)4-5-10(15)19-11/h4-5,7-8H,2-3,6H2,1H3
InChIKeyOISNHPDPSJTQGX-UHFFFAOYSA-N
XLogP4.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 54.19
H-Bond Donors ≤ 50
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 3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 60716732) is 3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is OISNHPDPSJTQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F3N2O/c1-7(8-2-3-8)20(6-13(16,17)18)12(21)11-9(14)4-5-10(15)19-11/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 341.16 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 60716732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).