6-bromo-4-(difluoromethyl)pyridine-2,3-diamine

C6H6BrF2N3 — CID 130098542

IUPAC6-bromo-4-(difluoromethyl)pyridine-2,3-diamine
SMILESNc1nc(Br)cc(C(F)F)c1N
InChIInChI=1S/C6H6BrF2N3/c7-3-1-2(5(8)9)4(10)6(11)12-3/h1,5H,10H2,(H2,11,12)
InChIKeyLBBVTODQXDVNHS-UHFFFAOYSA-N
MW238.03 g/mol
LogP1.95
Rot. Bonds1

About 6-bromo-4-(difluoromethyl)pyridine-2,3-diamine

6-bromo-4-(difluoromethyl)pyridine-2,3-diamine (PubChem CID 130098542) has the molecular formula C6H6BrF2N3 and a molecular weight of 238.03 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)pyridine-2,3-diamine
PubChem CID130098542
Molecular FormulaC6H6BrF2N3
Molecular Weight238.03 g/mol
Exact Mass236.97
IUPAC Name6-bromo-4-(difluoromethyl)pyridine-2,3-diamine
SMILESNc1nc(Br)cc(C(F)F)c1N
InChIInChI=1S/C6H6BrF2N3/c7-3-1-2(5(8)9)4(10)6(11)12-3/h1,5H,10H2,(H2,11,12)
InChIKeyLBBVTODQXDVNHS-UHFFFAOYSA-N
XLogP1.95
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-4-(difluoromethyl)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

6-bromo-4-(difluoromethyl)-3-iodopyridin-2-amine
CID 119005201
6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 118995559
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119014355
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide
CID 118999240
5,6-diamino-4-(difluoromethyl)pyridine-2-carboxamide
CID 119003391
5,6-diamino-4-(difluoromethyl)pyridine-2-sulfonamide
CID 118803869
6-bromo-3-(difluoromethyl)pyridine-2,5-diamine
CID 119017284
3-bromo-5-(difluoromethyl)-6-fluoropyridin-2-amine
CID 118999087
5-amino-6-bromo-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102081
6-bromo-3-(difluoromethyl)-4-methoxypyridin-2-amine
CID 118998784
[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine
CID 130069170
6-bromo-4-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130101605

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 6-bromo-4-(difluoromethyl)pyridine-2,3-diamine (CID 130098542) is 6-bromo-4-(difluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-bromo-4-(difluoromethyl)pyridine-2,3-diamine is Nc1nc(Br)cc(C(F)F)c1N.
What is the InChIKey of 6-bromo-4-(difluoromethyl)pyridine-2,3-diamine?
The InChIKey is LBBVTODQXDVNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N3/c7-3-1-2(5(8)9)4(10)6(11)12-3/h1,5H,10H2,(H2,11,12).
What are the key properties of 6-bromo-4-(difluoromethyl)pyridine-2,3-diamine?
6-bromo-4-(difluoromethyl)pyridine-2,3-diamine has a molecular weight of 238.03 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 130098542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).