6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine

C11H8ClF2N3 — CID 113316733

IUPAC6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1ccc(F)cc1F
InChIInChI=1S/C11H8ClF2N3/c12-10-4-2-8(15)11(17-10)16-9-3-1-6(13)5-7(9)14/h1-5H,15H2,(H,16,17)
InChIKeySFHLJVUKJSOOLJ-UHFFFAOYSA-N
MW255.66 g/mol
LogP3.34
Rot. Bonds2

About 6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine

6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine (PubChem CID 113316733) has the molecular formula C11H8ClF2N3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine
PubChem CID113316733
Molecular FormulaC11H8ClF2N3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1ccc(F)cc1F
InChIInChI=1S/C11H8ClF2N3/c12-10-4-2-8(15)11(17-10)16-9-3-1-6(13)5-7(9)14/h1-5H,15H2,(H,16,17)
InChIKeySFHLJVUKJSOOLJ-UHFFFAOYSA-N
XLogP3.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)pyridine-2,3-diamine
CID 83076459
2-[(3-amino-6-chloro-2-pyridinyl)amino]-4-chlorobenzonitrile
CID 115474241
N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072340
6-chloro-2-N-(2-iodophenyl)pyridine-2,3-diamine
CID 115473632
5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide
CID 102854816
6-chloro-N-(2,4-difluorophenyl)-4,5-dimethylpyridazin-3-amine
CID 55169284
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
6-N-(2,4-difluorophenyl)pyridine-2,6-diamine
CID 80647983
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 22545479

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine (CID 113316733) is 6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine is Nc1ccc(Cl)nc1Nc1ccc(F)cc1F.
What is the InChIKey of 6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine?
The InChIKey is SFHLJVUKJSOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3/c12-10-4-2-8(15)11(17-10)16-9-3-1-6(13)5-7(9)14/h1-5H,15H2,(H,16,17).
What are the key properties of 6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine?
6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine has a molecular weight of 255.66 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 113316733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).