5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide

C8H7ClF2N2O2 — CID 142379405

IUPAC5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(C(F)(F)C(O)Cl)c1
InChIInChI=1S/C8H7ClF2N2O2/c9-7(15)8(10,11)5-1-4(6(12)14)2-13-3-5/h1-3,7,15H,(H2,12,14)
InChIKeyZDSHWCFEUAPZQH-UHFFFAOYSA-N
MW236.60 g/mol
LogP0.83
Rot. Bonds3

About 5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide

5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 142379405) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID142379405
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(C(F)(F)C(O)Cl)c1
InChIInChI=1S/C8H7ClF2N2O2/c9-7(15)8(10,11)5-1-4(6(12)14)2-13-3-5/h1-3,7,15H,(H2,12,14)
InChIKeyZDSHWCFEUAPZQH-UHFFFAOYSA-N
XLogP0.83
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-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 5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide (CID 142379405) is 5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide is NC(=O)c1cncc(C(F)(F)C(O)Cl)c1.
What is the InChIKey of 5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is ZDSHWCFEUAPZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c9-7(15)8(10,11)5-1-4(6(12)14)2-13-3-5/h1-3,7,15H,(H2,12,14).
What are the key properties of 5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide?
5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 236.60 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-1,1-difluoro-2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 142379405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).