[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol

C7H5Br2F2NO — CID 119006650

IUPAC[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cc(C(F)F)c(Br)nc1Br
InChIInChI=1S/C7H5Br2F2NO/c8-5-3(2-13)1-4(7(10)11)6(9)12-5/h1,7,13H,2H2
InChIKeyUGZRGBXMEQAJIG-UHFFFAOYSA-N
MW316.93 g/mol
LogP3.04
Rot. Bonds2

About [2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol

[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol (PubChem CID 119006650) has the molecular formula C7H5Br2F2NO and a molecular weight of 316.93 g/mol. Its IUPAC name is [2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol
PubChem CID119006650
Molecular FormulaC7H5Br2F2NO
Molecular Weight316.93 g/mol
Exact Mass314.87
IUPAC Name[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cc(C(F)F)c(Br)nc1Br
InChIInChI=1S/C7H5Br2F2NO/c8-5-3(2-13)1-4(7(10)11)6(9)12-5/h1,7,13H,2H2
InChIKeyUGZRGBXMEQAJIG-UHFFFAOYSA-N
XLogP3.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.93
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol 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

2,6-dibromo-3-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098992
2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine
CID 130099019
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol
CID 118803957
[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119025183
2-bromo-6-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119016714
2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118994364
2,6-dibromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118999254
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine
CID 119010218
[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
CID 130081622
[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol
CID 130070073
2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine
CID 119006485

Frequently Asked Questions

What is the IUPAC name of [2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol (CID 119006650) is [2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol is OCc1cc(C(F)F)c(Br)nc1Br.
What is the InChIKey of [2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol?
The InChIKey is UGZRGBXMEQAJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F2NO/c8-5-3(2-13)1-4(7(10)11)6(9)12-5/h1,7,13H,2H2.
What are the key properties of [2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol?
[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol has a molecular weight of 316.93 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 119006650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).