2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine

C12H10BrClFN3 — CID 107591031

IUPAC2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
SMILESCc1cc(F)c(Br)cc1Nc1nc(Cl)ccc1N
InChIInChI=1S/C12H10BrClFN3/c1-6-4-8(15)7(13)5-10(6)17-12-9(16)2-3-11(14)18-12/h2-5H,16H2,1H3,(H,17,18)
InChIKeyWSSZFTMHLOBHLD-UHFFFAOYSA-N
MW330.59 g/mol
LogP4.27
Rot. Bonds2

About 2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine

2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine (PubChem CID 107591031) has the molecular formula C12H10BrClFN3 and a molecular weight of 330.59 g/mol. Its IUPAC name is 2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
PubChem CID107591031
Molecular FormulaC12H10BrClFN3
Molecular Weight330.59 g/mol
Exact Mass328.97
IUPAC Name2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
SMILESCc1cc(F)c(Br)cc1Nc1nc(Cl)ccc1N
InChIInChI=1S/C12H10BrClFN3/c1-6-4-8(15)7(13)5-10(6)17-12-9(16)2-3-11(14)18-12/h2-5H,16H2,1H3,(H,17,18)
InChIKeyWSSZFTMHLOBHLD-UHFFFAOYSA-N
XLogP4.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-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

methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
CID 107593608
6-chloro-2-N-(2,4-difluorophenyl)pyridine-2,3-diamine
CID 113316733
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine
CID 107593343
3-[(3-amino-6-chloro-2-pyridinyl)amino]-4-methylbenzonitrile
CID 115474055
5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide
CID 102854816
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340
2-N-(2-bromo-4-chlorophenyl)-6-methylpyridine-2,3-diamine
CID 81263123
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 107593321
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine
CID 102752038
4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590965
3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine
CID 107593871

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine?
The IUPAC name of 2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine (CID 107591031) is 2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine.
What is the SMILES notation for 2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine?
The canonical SMILES for 2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine is Cc1cc(F)c(Br)cc1Nc1nc(Cl)ccc1N.
What is the InChIKey of 2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine?
The InChIKey is WSSZFTMHLOBHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3/c1-6-4-8(15)7(13)5-10(6)17-12-9(16)2-3-11(14)18-12/h2-5H,16H2,1H3,(H,17,18).
What are the key properties of 2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine?
2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine has a molecular weight of 330.59 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine is sourced from PubChem (CID 107591031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).