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

C7H5Br2F2NO — CID 130110213

IUPAC5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol
SMILESOc1c(C(F)F)ncc(Br)c1CBr
InChIInChI=1S/C7H5Br2F2NO/c8-1-3-4(9)2-12-5(6(3)13)7(10)11/h2,7,13H,1H2
InChIKeyFFLVBDWIVDFELO-UHFFFAOYSA-N
MW316.93 g/mol
LogP3.38
Rot. Bonds2

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

5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol (PubChem CID 130110213) has the molecular formula C7H5Br2F2NO and a molecular weight of 316.93 g/mol. Its IUPAC name is 5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol
PubChem CID130110213
Molecular FormulaC7H5Br2F2NO
Molecular Weight316.93 g/mol
Exact Mass314.87
IUPAC Name5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol
SMILESOc1c(C(F)F)ncc(Br)c1CBr
InChIInChI=1S/C7H5Br2F2NO/c8-1-3-4(9)2-12-5(6(3)13)7(10)11/h2,7,13H,1H2
InChIKeyFFLVBDWIVDFELO-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

2-[5-bromo-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070464
5-bromo-2-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130109300
5-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130110208
5-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070367
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130110275
2-[5-bromo-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130108376
2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid
CID 130069517
5-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130097039
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130108825
[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 118800641

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol (CID 130110213) is 5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol is Oc1c(C(F)F)ncc(Br)c1CBr.
What is the InChIKey of 5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol?
The InChIKey is FFLVBDWIVDFELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F2NO/c8-1-3-4(9)2-12-5(6(3)13)7(10)11/h2,7,13H,1H2.
What are the key properties of 5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol?
5-bromo-4-(bromomethyl)-2-(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 5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130110213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).