2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide

C13H11Cl2FN2O — CID 69155373

IUPAC2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide
SMILESNC(=O)C1=CC(F)(Cc2ccc(Cl)cc2Cl)NC=C1
InChIInChI=1S/C13H11Cl2FN2O/c14-10-2-1-8(11(15)5-10)6-13(16)7-9(12(17)19)3-4-18-13/h1-5,7,18H,6H2,(H2,17,19)
InChIKeyJIXGQAZPFFCEIY-UHFFFAOYSA-N
MW301.15 g/mol
LogP2.73
Rot. Bonds3

About 2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide

2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide (PubChem CID 69155373) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide
PubChem CID69155373
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide
SMILESNC(=O)C1=CC(F)(Cc2ccc(Cl)cc2Cl)NC=C1
InChIInChI=1S/C13H11Cl2FN2O/c14-10-2-1-8(11(15)5-10)6-13(16)7-9(12(17)19)3-4-18-13/h1-5,7,18H,6H2,(H2,17,19)
InChIKeyJIXGQAZPFFCEIY-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-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 2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide (CID 69155373) is 2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide is NC(=O)C1=CC(F)(Cc2ccc(Cl)cc2Cl)NC=C1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide?
The InChIKey is JIXGQAZPFFCEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O/c14-10-2-1-8(11(15)5-10)6-13(16)7-9(12(17)19)3-4-18-13/h1-5,7,18H,6H2,(H2,17,19).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide?
2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide has a molecular weight of 301.15 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-2-fluoro-1H-pyridine-4-carboxamide is sourced from PubChem (CID 69155373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).