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

C8H7BrF3NO — CID 130081815

IUPAC[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
SMILESOCc1cc(F)nc(CBr)c1C(F)F
InChIInChI=1S/C8H7BrF3NO/c9-2-5-7(8(11)12)4(3-14)1-6(10)13-5/h1,8,14H,2-3H2
InChIKeyLXTQXBZBYJPAAV-UHFFFAOYSA-N
MW270.05 g/mol
LogP2.55
Rot. Bonds3

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

[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol (PubChem CID 130081815) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is [2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
PubChem CID130081815
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
SMILESOCc1cc(F)nc(CBr)c1C(F)F
InChIInChI=1S/C8H7BrF3NO/c9-2-5-7(8(11)12)4(3-14)1-6(10)13-5/h1,8,14H,2-3H2
InChIKeyLXTQXBZBYJPAAV-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 130081862
[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134671632
[3-(difluoromethyl)-6-fluoro-2-methyl-4-pyridinyl]methanol
CID 130081129
[3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol
CID 130080748
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
CID 130071761
[2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 118843989
[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070299
2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118826974
2-[2-(bromomethyl)-6-chloro-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118843847
[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133103764
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol?
The IUPAC name of [2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol (CID 130081815) is [2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol.
What is the SMILES notation for [2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol?
The canonical SMILES for [2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol is OCc1cc(F)nc(CBr)c1C(F)F.
What is the InChIKey of [2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol?
The InChIKey is LXTQXBZBYJPAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c9-2-5-7(8(11)12)4(3-14)1-6(10)13-5/h1,8,14H,2-3H2.
What are the key properties of [2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol?
[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-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 [2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol is sourced from PubChem (CID 130081815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).