4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol

C7H5Br2F2NO — CID 130110220

IUPAC4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
SMILESOc1cnc(CBr)c(C(F)F)c1Br
InChIInChI=1S/C7H5Br2F2NO/c8-1-3-5(7(10)11)6(9)4(13)2-12-3/h2,7,13H,1H2
InChIKeyCJINOFLSIWECQC-UHFFFAOYSA-N
MW316.93 g/mol
LogP3.38
Rot. Bonds2

About 4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol

4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol (PubChem CID 130110220) has the molecular formula C7H5Br2F2NO and a molecular weight of 316.93 g/mol. Its IUPAC name is 4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
PubChem CID130110220
Molecular FormulaC7H5Br2F2NO
Molecular Weight316.93 g/mol
Exact Mass314.87
IUPAC Name4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
SMILESOc1cnc(CBr)c(C(F)F)c1Br
InChIInChI=1S/C7H5Br2F2NO/c8-1-3-5(7(10)11)6(9)4(13)2-12-3/h2,7,13H,1H2
InChIKeyCJINOFLSIWECQC-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130079407
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol
CID 130083686
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494
5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
CID 130104710
2-[3-(bromomethyl)-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085015
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 118855098
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
CID 130102704
5-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130110208
2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130081925
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol
CID 130083707
4-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130070692

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol (CID 130110220) is 4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol is Oc1cnc(CBr)c(C(F)F)c1Br.
What is the InChIKey of 4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol?
The InChIKey is CJINOFLSIWECQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F2NO/c8-1-3-5(7(10)11)6(9)4(13)2-12-3/h2,7,13H,1H2.
What are the key properties of 4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol?
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol has a molecular weight of 316.93 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130110220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).