2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol

C7H5BrF3NO — CID 118832807

IUPAC2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol
SMILESOc1cc(F)c(C(F)F)nc1CBr
InChIInChI=1S/C7H5BrF3NO/c8-2-4-5(13)1-3(9)6(12-4)7(10)11/h1,7,13H,2H2
InChIKeyDSVVIYJGCSDDPJ-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.76
Rot. Bonds2

About 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol

2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol (PubChem CID 118832807) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol.

Molecular Properties

Compound Name2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol
PubChem CID118832807
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol
SMILESOc1cc(F)c(C(F)F)nc1CBr
InChIInChI=1S/C7H5BrF3NO/c8-2-4-5(13)1-3(9)6(12-4)7(10)11/h1,7,13H,2H2
InChIKeyDSVVIYJGCSDDPJ-UHFFFAOYSA-N
XLogP2.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.76
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-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130081939
methyl 6-(bromomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130084949
2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
CID 130082625
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 130071737
6-(difluoromethyl)-5-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 118820960
5-(bromomethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079432
2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
CID 118843738
2-[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetic acid
CID 130109842
2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085033
2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130084993
[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070299
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104140

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol?
The IUPAC name of 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol (CID 118832807) is 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol.
What is the SMILES notation for 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol?
The canonical SMILES for 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol is Oc1cc(F)c(C(F)F)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol?
The InChIKey is DSVVIYJGCSDDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-2-4-5(13)1-3(9)6(12-4)7(10)11/h1,7,13H,2H2.
What are the key properties of 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol?
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol has a molecular weight of 256.02 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol is sourced from PubChem (CID 118832807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).