[6-(bromomethyl)-2-pyridinyl]methanol

C7H8BrNO — CID 10878213

IUPAC[6-(bromomethyl)-2-pyridinyl]methanol
SMILESOCc1cccc(CBr)n1
InChIInChI=1S/C7H8BrNO/c8-4-6-2-1-3-7(5-10)9-6/h1-3,10H,4-5H2
InChIKeyJLYYQZROGJLCCS-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.47
Rot. Bonds2

About [6-(bromomethyl)-2-pyridinyl]methanol

[6-(bromomethyl)-2-pyridinyl]methanol (PubChem CID 10878213) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is [6-(bromomethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(bromomethyl)-2-pyridinyl]methanol
PubChem CID10878213
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name[6-(bromomethyl)-2-pyridinyl]methanol
SMILESOCc1cccc(CBr)n1
InChIInChI=1S/C7H8BrNO/c8-4-6-2-1-3-7(5-10)9-6/h1-3,10H,4-5H2
InChIKeyJLYYQZROGJLCCS-UHFFFAOYSA-N
XLogP1.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(bromomethyl)-2-pyridinyl]methanol?
The IUPAC name of [6-(bromomethyl)-2-pyridinyl]methanol (CID 10878213) is [6-(bromomethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(bromomethyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(bromomethyl)-2-pyridinyl]methanol is OCc1cccc(CBr)n1.
What is the InChIKey of [6-(bromomethyl)-2-pyridinyl]methanol?
The InChIKey is JLYYQZROGJLCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-4-6-2-1-3-7(5-10)9-6/h1-3,10H,4-5H2.
What are the key properties of [6-(bromomethyl)-2-pyridinyl]methanol?
[6-(bromomethyl)-2-pyridinyl]methanol has a molecular weight of 202.05 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(bromomethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 10878213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).