[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol

C8H7BrF3NO — CID 130081832

IUPAC[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
SMILESOCc1c(F)cc(CBr)nc1C(F)F
InChIInChI=1S/C8H7BrF3NO/c9-2-4-1-6(10)5(3-14)7(13-4)8(11)12/h1,8,14H,2-3H2
InChIKeyVKJJVXVVQSDTHG-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.55
Rot. Bonds3

About [6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol

[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol (PubChem CID 130081832) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is [6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
PubChem CID130081832
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
SMILESOCc1c(F)cc(CBr)nc1C(F)F
InChIInChI=1S/C8H7BrF3NO/c9-2-4-1-6(10)5(3-14)7(13-4)8(11)12/h1,8,14H,2-3H2
InChIKeyVKJJVXVVQSDTHG-UHFFFAOYSA-N
XLogP2.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 52.55
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-[6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130082055
6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130081885
3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine
CID 130099754
[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130107153
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine
CID 130074144
methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134676136
6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080615
6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080004
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130073747
[2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130096431
[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070299
ethyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134684376

Frequently Asked Questions

What is the IUPAC name of [6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
The IUPAC name of [6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol (CID 130081832) is [6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol is OCc1c(F)cc(CBr)nc1C(F)F.
What is the InChIKey of [6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
The InChIKey is VKJJVXVVQSDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-2-4-1-6(10)5(3-14)7(13-4)8(11)12/h1,8,14H,2-3H2.
What are the key properties of [6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol has a molecular weight of 270.05 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 130081832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).