2-(bromomethyl)pyridin-3-ol;hydrobromide

C6H7Br2NO — CID 2827821

IUPAC2-(bromomethyl)pyridin-3-ol;hydrobromide
SMILESBr.Oc1cccnc1CBr
InChIInChI=1S/C6H6BrNO.BrH/c7-4-5-6(9)2-1-3-8-5;/h1-3,9H,4H2;1H
InChIKeyYEZLFBCEZYSGQC-UHFFFAOYSA-N
MW268.94 g/mol
LogP2.26
Rot. Bonds1

About 2-(bromomethyl)pyridin-3-ol;hydrobromide

2-(bromomethyl)pyridin-3-ol;hydrobromide (PubChem CID 2827821) has the molecular formula C6H7Br2NO and a molecular weight of 268.94 g/mol. Its IUPAC name is 2-(bromomethyl)pyridin-3-ol;hydrobromide.

Molecular Properties

Compound Name2-(bromomethyl)pyridin-3-ol;hydrobromide
PubChem CID2827821
Molecular FormulaC6H7Br2NO
Molecular Weight268.94 g/mol
Exact Mass266.89
IUPAC Name2-(bromomethyl)pyridin-3-ol;hydrobromide
SMILESBr.Oc1cccnc1CBr
InChIInChI=1S/C6H6BrNO.BrH/c7-4-5-6(9)2-1-3-8-5;/h1-3,9H,4H2;1H
InChIKeyYEZLFBCEZYSGQC-UHFFFAOYSA-N
XLogP2.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.94
LogP ≤ 52.26
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 2-(bromomethyl)pyridin-3-ol;hydrobromide?
The IUPAC name of 2-(bromomethyl)pyridin-3-ol;hydrobromide (CID 2827821) is 2-(bromomethyl)pyridin-3-ol;hydrobromide.
What is the SMILES notation for 2-(bromomethyl)pyridin-3-ol;hydrobromide?
The canonical SMILES for 2-(bromomethyl)pyridin-3-ol;hydrobromide is Br.Oc1cccnc1CBr.
What is the InChIKey of 2-(bromomethyl)pyridin-3-ol;hydrobromide?
The InChIKey is YEZLFBCEZYSGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO.BrH/c7-4-5-6(9)2-1-3-8-5;/h1-3,9H,4H2;1H.
What are the key properties of 2-(bromomethyl)pyridin-3-ol;hydrobromide?
2-(bromomethyl)pyridin-3-ol;hydrobromide has a molecular weight of 268.94 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)pyridin-3-ol;hydrobromide is sourced from PubChem (CID 2827821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).