[5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol

C8H8BrF2NO — CID 130069341

IUPAC[5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
SMILESCc1cc(Br)c(C(F)F)nc1CO
InChIInChI=1S/C8H8BrF2NO/c1-4-2-5(9)7(8(10)11)12-6(4)3-13/h2,8,13H,3H2,1H3
InChIKeyYHCWUIMBGWQRJM-UHFFFAOYSA-N
MW252.06 g/mol
LogP2.58
Rot. Bonds2

About [5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol

[5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol (PubChem CID 130069341) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is [5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
PubChem CID130069341
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name[5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
SMILESCc1cc(Br)c(C(F)F)nc1CO
InChIInChI=1S/C8H8BrF2NO/c1-4-2-5(9)7(8(10)11)12-6(4)3-13/h2,8,13H,3H2,1H3
InChIKeyYHCWUIMBGWQRJM-UHFFFAOYSA-N
XLogP2.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070299
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
CID 118820028
2-[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070486
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine
CID 130074149
3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine
CID 130068744
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225
5-bromo-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130107859
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
[6-bromo-4-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069331
2,5-dibromo-6-(difluoromethyl)pyridin-3-ol
CID 130098897
[5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118825637
2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine
CID 118995667

Frequently Asked Questions

What is the IUPAC name of [5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
The IUPAC name of [5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol (CID 130069341) is [5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
The canonical SMILES for [5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol is Cc1cc(Br)c(C(F)F)nc1CO.
What is the InChIKey of [5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
The InChIKey is YHCWUIMBGWQRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c1-4-2-5(9)7(8(10)11)12-6(4)3-13/h2,8,13H,3H2,1H3.
What are the key properties of [5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
[5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol has a molecular weight of 252.06 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 130069341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).