6-(bromomethyl)-2-methylpyridin-3-ol

C7H8BrNO — CID 130776663

IUPAC6-(bromomethyl)-2-methylpyridin-3-ol
SMILESCc1nc(CBr)ccc1O
InChIInChI=1S/C7H8BrNO/c1-5-7(10)3-2-6(4-8)9-5/h2-3,10H,4H2,1H3
InChIKeyOHEVXNMWWUWPKR-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.99
Rot. Bonds1

About 6-(bromomethyl)-2-methylpyridin-3-ol

6-(bromomethyl)-2-methylpyridin-3-ol (PubChem CID 130776663) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 6-(bromomethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name6-(bromomethyl)-2-methylpyridin-3-ol
PubChem CID130776663
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name6-(bromomethyl)-2-methylpyridin-3-ol
SMILESCc1nc(CBr)ccc1O
InChIInChI=1S/C7H8BrNO/c1-5-7(10)3-2-6(4-8)9-5/h2-3,10H,4H2,1H3
InChIKeyOHEVXNMWWUWPKR-UHFFFAOYSA-N
XLogP1.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.99
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-methylpyridin-3-ol?
The IUPAC name of 6-(bromomethyl)-2-methylpyridin-3-ol (CID 130776663) is 6-(bromomethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 6-(bromomethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 6-(bromomethyl)-2-methylpyridin-3-ol is Cc1nc(CBr)ccc1O.
What is the InChIKey of 6-(bromomethyl)-2-methylpyridin-3-ol?
The InChIKey is OHEVXNMWWUWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-7(10)3-2-6(4-8)9-5/h2-3,10H,4H2,1H3.
What are the key properties of 6-(bromomethyl)-2-methylpyridin-3-ol?
6-(bromomethyl)-2-methylpyridin-3-ol has a molecular weight of 202.05 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 130776663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).