4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide

C7H4ClF3N2O — CID 118833693

IUPAC4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cnc(F)c(C(F)F)c1Cl
InChIInChI=1S/C7H4ClF3N2O/c8-4-2(7(12)14)1-13-6(11)3(4)5(9)10/h1,5H,(H2,12,14)
InChIKeyCBYDJKJFEQBNHI-UHFFFAOYSA-N
MW224.57 g/mol
LogP1.91
Rot. Bonds2

About 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide

4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide (PubChem CID 118833693) has the molecular formula C7H4ClF3N2O and a molecular weight of 224.57 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide
PubChem CID118833693
Molecular FormulaC7H4ClF3N2O
Molecular Weight224.57 g/mol
Exact Mass224.00
IUPAC Name4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cnc(F)c(C(F)F)c1Cl
InChIInChI=1S/C7H4ClF3N2O/c8-4-2(7(12)14)1-13-6(11)3(4)5(9)10/h1,5H,(H2,12,14)
InChIKeyCBYDJKJFEQBNHI-UHFFFAOYSA-N
XLogP1.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.57
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-5-(difluoromethyl)-6-fluoropyridine-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 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide (CID 118833693) is 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide is NC(=O)c1cnc(F)c(C(F)F)c1Cl.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is CBYDJKJFEQBNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O/c8-4-2(7(12)14)1-13-6(11)3(4)5(9)10/h1,5H,(H2,12,14).
What are the key properties of 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide?
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 224.57 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 118833693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).