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

C10H9Cl2F3N2O2 — CID 61053442

IUPAC3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(c1nc(Cl)ccc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H9Cl2F3N2O2/c11-6-1-2-7(12)16-8(6)9(19)17(3-4-18)5-10(13,14)15/h1-2,18H,3-5H2
InChIKeyPLSFKLQWQNQDOH-UHFFFAOYSA-N
MW317.09 g/mol
LogP2.39
Rot. Bonds4

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

3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 61053442) has the molecular formula C10H9Cl2F3N2O2 and a molecular weight of 317.09 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID61053442
Molecular FormulaC10H9Cl2F3N2O2
Molecular Weight317.09 g/mol
Exact Mass316.00
IUPAC Name3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(c1nc(Cl)ccc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H9Cl2F3N2O2/c11-6-1-2-7(12)16-8(6)9(19)17(3-4-18)5-10(13,14)15/h1-2,18H,3-5H2
InChIKeyPLSFKLQWQNQDOH-UHFFFAOYSA-N
XLogP2.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 61053442) is 3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is O=C(c1nc(Cl)ccc1Cl)N(CCO)CC(F)(F)F.
What is the InChIKey of 3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is PLSFKLQWQNQDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3N2O2/c11-6-1-2-7(12)16-8(6)9(19)17(3-4-18)5-10(13,14)15/h1-2,18H,3-5H2.
What are the key properties of 3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 317.09 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 61053442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).