6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol

C7H5BrF3NO — CID 130079407

IUPAC6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
SMILESOc1cnc(CBr)c(C(F)F)c1F
InChIInChI=1S/C7H5BrF3NO/c8-1-3-5(7(10)11)6(9)4(13)2-12-3/h2,7,13H,1H2
InChIKeyUYIGIOFFKQVQFN-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.76
Rot. Bonds2

About 6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol

6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol (PubChem CID 130079407) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol.

Molecular Properties

Compound Name6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
PubChem CID130079407
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
SMILESOc1cnc(CBr)c(C(F)F)c1F
InChIInChI=1S/C7H5BrF3NO/c8-1-3-5(7(10)11)6(9)4(13)2-12-3/h2,7,13H,1H2
InChIKeyUYIGIOFFKQVQFN-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

5-(difluoromethyl)-4-fluoro-6-(hydroxymethyl)pyridin-3-ol
CID 130079587
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 130110220
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-3-ol
CID 130083686
5-(difluoromethyl)-4,6-difluoropyridin-3-ol
CID 130099609
3-bromo-2-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130109494
6-chloro-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 118998226
2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 118855098
2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
CID 130071734
5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
CID 130104710
2-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130081925
2-[3-(bromomethyl)-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085015
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol?
The IUPAC name of 6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol (CID 130079407) is 6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol.
What is the SMILES notation for 6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol?
The canonical SMILES for 6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol is Oc1cnc(CBr)c(C(F)F)c1F.
What is the InChIKey of 6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol?
The InChIKey is UYIGIOFFKQVQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-1-3-5(7(10)11)6(9)4(13)2-12-3/h2,7,13H,1H2.
What are the key properties of 6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol?
6-(bromomethyl)-5-(difluoromethyl)-4-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 6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol is sourced from PubChem (CID 130079407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).