4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol

C7H5BrClF2NO — CID 130110275

IUPAC4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol
SMILESOc1c(C(F)F)ncc(CCl)c1Br
InChIInChI=1S/C7H5BrClF2NO/c8-4-3(1-9)2-12-5(6(4)13)7(10)11/h2,7,13H,1H2
InChIKeyCECMQXYXDQGCIS-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.23
Rot. Bonds2

About 4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol

4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol (PubChem CID 130110275) has the molecular formula C7H5BrClF2NO and a molecular weight of 272.48 g/mol. Its IUPAC name is 4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol
PubChem CID130110275
Molecular FormulaC7H5BrClF2NO
Molecular Weight272.48 g/mol
Exact Mass270.92
IUPAC Name4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol
SMILESOc1c(C(F)F)ncc(CCl)c1Br
InChIInChI=1S/C7H5BrClF2NO/c8-4-3(1-9)2-12-5(6(4)13)7(10)11/h2,7,13H,1H2
InChIKeyCECMQXYXDQGCIS-UHFFFAOYSA-N
XLogP3.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol 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

3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130069239
2-[4-bromo-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070567
5-bromo-2-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130109300
5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130110213
[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 118845394
3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130108110
4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid
CID 130085250
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073182
3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 130070510
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol (CID 130110275) is 4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol is Oc1c(C(F)F)ncc(CCl)c1Br.
What is the InChIKey of 4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol?
The InChIKey is CECMQXYXDQGCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO/c8-4-3(1-9)2-12-5(6(4)13)7(10)11/h2,7,13H,1H2.
What are the key properties of 4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol?
4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol has a molecular weight of 272.48 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130110275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).