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

C8H5BrF5NO — CID 130070839

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

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

[5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 130070839) has the molecular formula C8H5BrF5NO and a molecular weight of 306.03 g/mol. Its IUPAC name is [5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID130070839
Molecular FormulaC8H5BrF5NO
Molecular Weight306.03 g/mol
Exact Mass304.95
IUPAC Name[5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ncc(Br)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5BrF5NO/c9-3-1-15-4(2-16)5(7(10)11)6(3)8(12,13)14/h1,7,16H,2H2
InChIKeyWAKBAYYAHMEVJD-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

[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130087709
[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118851075
[5-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069878
[3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130107745
[4-bromo-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118822869
5-(difluoromethyl)-4-fluoro-6-(hydroxymethyl)pyridin-3-ol
CID 130079587
[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118837003
[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118851542
[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol
CID 130081112
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130108971
4-bromo-2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130070201

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol (CID 130070839) is [5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol is OCc1ncc(Br)c(C(F)(F)F)c1C(F)F.
What is the InChIKey of [5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is WAKBAYYAHMEVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF5NO/c9-3-1-15-4(2-16)5(7(10)11)6(3)8(12,13)14/h1,7,16H,2H2.
What are the key properties of [5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol?
[5-bromo-3-(difluoromethyl)-4-(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 [5-bromo-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130070839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).