[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol

C9H10BrF2NO — CID 130090067

IUPAC[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
SMILESCc1cnc(C(F)F)c(CO)c1CBr
InChIInChI=1S/C9H10BrF2NO/c1-5-3-13-8(9(11)12)7(4-14)6(5)2-10/h3,9,14H,2,4H2,1H3
InChIKeyZXPJIFDRLSKITJ-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.71
Rot. Bonds3

About [4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol

[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol (PubChem CID 130090067) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is [4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
PubChem CID130090067
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
SMILESCc1cnc(C(F)F)c(CO)c1CBr
InChIInChI=1S/C9H10BrF2NO/c1-5-3-13-8(9(11)12)7(4-14)6(5)2-10/h3,9,14H,2,4H2,1H3
InChIKeyZXPJIFDRLSKITJ-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.71
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

4-(bromomethyl)-2-(difluoromethyl)-3-iodo-5-methylpyridine
CID 130086022
4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106332
[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826518
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol
CID 118832165
2-[5-(bromomethyl)-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 130090266
5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130078912
5-bromo-4-(bromomethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130110213
[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 118800641
3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087813
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337
[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 130082230

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol (CID 130090067) is [4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol is Cc1cnc(C(F)F)c(CO)c1CBr.
What is the InChIKey of [4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol?
The InChIKey is ZXPJIFDRLSKITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-5-3-13-8(9(11)12)7(4-14)6(5)2-10/h3,9,14H,2,4H2,1H3.
What are the key properties of [4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol?
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol has a molecular weight of 266.08 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 130090067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).