2-bromo-4-(difluoromethyl)pyridine-3,5-diol

C6H4BrF2NO2 — CID 118999212

IUPAC2-bromo-4-(difluoromethyl)pyridine-3,5-diol
SMILESOc1cnc(Br)c(O)c1C(F)F
InChIInChI=1S/C6H4BrF2NO2/c7-5-4(12)3(6(8)9)2(11)1-10-5/h1,6,11-12H
InChIKeyZCRPCHPRGSCNMF-UHFFFAOYSA-N
MW240.00 g/mol
LogP2.19
Rot. Bonds1

About 2-bromo-4-(difluoromethyl)pyridine-3,5-diol

2-bromo-4-(difluoromethyl)pyridine-3,5-diol (PubChem CID 118999212) has the molecular formula C6H4BrF2NO2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)pyridine-3,5-diol.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)pyridine-3,5-diol
PubChem CID118999212
Molecular FormulaC6H4BrF2NO2
Molecular Weight240.00 g/mol
Exact Mass238.94
IUPAC Name2-bromo-4-(difluoromethyl)pyridine-3,5-diol
SMILESOc1cnc(Br)c(O)c1C(F)F
InChIInChI=1S/C6H4BrF2NO2/c7-5-4(12)3(6(8)9)2(11)1-10-5/h1,6,11-12H
InChIKeyZCRPCHPRGSCNMF-UHFFFAOYSA-N
XLogP2.19
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.00
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-4-(difluoromethyl)pyridine-3,5-diol 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-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 130107825
2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118995756
6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol
CID 119007028
3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride
CID 130110573
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxamide
CID 119016650
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 130110220
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol
CID 130083686
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol
CID 130083707
2-amino-5-bromo-4-(difluoromethyl)pyridin-3-ol
CID 130101681
6-chloro-4-(difluoromethyl)-5-methylpyridin-3-ol
CID 119014799
5-(difluoromethyl)-4,6-difluoropyridin-3-ol
CID 130099609
2-[3-(bromomethyl)-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085015

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)pyridine-3,5-diol?
The IUPAC name of 2-bromo-4-(difluoromethyl)pyridine-3,5-diol (CID 118999212) is 2-bromo-4-(difluoromethyl)pyridine-3,5-diol.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)pyridine-3,5-diol?
The canonical SMILES for 2-bromo-4-(difluoromethyl)pyridine-3,5-diol is Oc1cnc(Br)c(O)c1C(F)F.
What is the InChIKey of 2-bromo-4-(difluoromethyl)pyridine-3,5-diol?
The InChIKey is ZCRPCHPRGSCNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO2/c7-5-4(12)3(6(8)9)2(11)1-10-5/h1,6,11-12H.
What are the key properties of 2-bromo-4-(difluoromethyl)pyridine-3,5-diol?
2-bromo-4-(difluoromethyl)pyridine-3,5-diol has a molecular weight of 240.00 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)pyridine-3,5-diol is sourced from PubChem (CID 118999212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).