[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol

C7H5BrF3NO — CID 118800641

IUPAC[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
SMILESOCc1c(C(F)F)ncc(F)c1Br
InChIInChI=1S/C7H5BrF3NO/c8-5-3(2-13)6(7(10)11)12-1-4(5)9/h1,7,13H,2H2
InChIKeyXBVDJIOGWCFQGD-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.41
Rot. Bonds2

About [4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol

[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol (PubChem CID 118800641) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is [4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
PubChem CID118800641
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
SMILESOCc1c(C(F)F)ncc(F)c1Br
InChIInChI=1S/C7H5BrF3NO/c8-5-3(2-13)6(7(10)11)12-1-4(5)9/h1,7,13H,2H2
InChIKeyXBVDJIOGWCFQGD-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 130082230
[5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130070086
[2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130096431
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
6-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)pyridin-3-ol
CID 130079568
5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130078912
[2-(difluoromethyl)-4-fluoro-5-methoxy-3-pyridinyl]methanol
CID 130080710
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262
3-(bromomethyl)-2-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 130076091
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 118845394

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol?
The IUPAC name of [4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol (CID 118800641) is [4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol is OCc1c(C(F)F)ncc(F)c1Br.
What is the InChIKey of [4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol?
The InChIKey is XBVDJIOGWCFQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-5-3(2-13)6(7(10)11)12-1-4(5)9/h1,7,13H,2H2.
What are the key properties of [4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol?
[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol has a molecular weight of 256.02 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 118800641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).