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

C8H5BrF5NO — CID 118851075

IUPAC[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)(F)F)c(Br)c1C(F)F
InChIInChI=1S/C8H5BrF5NO/c9-6-3(8(12,13)14)1-15-4(2-16)5(6)7(10)11/h1,7,16H,2H2
InChIKeySGHOIXLTYBLWJZ-UHFFFAOYSA-N
MW306.03 g/mol
LogP3.29
Rot. Bonds2

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

[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 118851075) has the molecular formula C8H5BrF5NO and a molecular weight of 306.03 g/mol. Its IUPAC name is [4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID118851075
Molecular FormulaC8H5BrF5NO
Molecular Weight306.03 g/mol
Exact Mass304.95
IUPAC Name[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)(F)F)c(Br)c1C(F)F
InChIInChI=1S/C8H5BrF5NO/c9-6-3(8(12,13)14)1-15-4(2-16)5(6)7(10)11/h1,7,16H,2H2
InChIKeySGHOIXLTYBLWJZ-UHFFFAOYSA-N
XLogP3.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.03
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130070839
[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118837003
[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130087709
5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130108971
2-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 118838272
2-bromo-3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 130109576
5-(difluoromethyl)-4-fluoro-6-(hydroxymethyl)pyridin-3-ol
CID 130079587
[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133103764
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol
CID 130083427
[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118851542
[5-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069878
[6-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 119010445

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol (CID 118851075) is [4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol is OCc1ncc(C(F)(F)F)c(Br)c1C(F)F.
What is the InChIKey of [4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is SGHOIXLTYBLWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF5NO/c9-6-3(8(12,13)14)1-15-4(2-16)5(6)7(10)11/h1,7,16H,2H2.
What are the key properties of [4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol?
[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 306.03 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 118851075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).