[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol

C8H7BrClF2NO — CID 130070605

IUPAC[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(Br)cc(C(F)F)nc1CCl
InChIInChI=1S/C8H7BrClF2NO/c9-5-1-6(8(11)12)13-7(2-10)4(5)3-14/h1,8,14H,2-3H2
InChIKeyDAYQCCLKJCIMOP-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.01
Rot. Bonds3

About [4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol

[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol (PubChem CID 130070605) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is [4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
PubChem CID130070605
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(Br)cc(C(F)F)nc1CCl
InChIInChI=1S/C8H7BrClF2NO/c9-5-1-6(8(11)12)13-7(2-10)4(5)3-14/h1,8,14H,2-3H2
InChIKeyDAYQCCLKJCIMOP-UHFFFAOYSA-N
XLogP3.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.01
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

2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070560
4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068807
[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130107519
[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol
CID 130082233
[2-bromo-6-(difluoromethyl)-4-methyl-3-pyridinyl]methanol
CID 119006188
2-[4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070474
2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107709
2-(chloromethyl)-6-(difluoromethyl)-4-iodopyridine-3-carboxylic acid
CID 118854965
2-[4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070245
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
CID 118809883
4-chloro-2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine
CID 130073192

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol (CID 130070605) is [4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol is OCc1c(Br)cc(C(F)F)nc1CCl.
What is the InChIKey of [4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol?
The InChIKey is DAYQCCLKJCIMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO/c9-5-1-6(8(11)12)13-7(2-10)4(5)3-14/h1,8,14H,2-3H2.
What are the key properties of [4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol?
[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol has a molecular weight of 286.50 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 130070605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).