6-bromopyridin-3-ol

C5H4BrNO — CID 2762865

IUPAC6-bromopyridin-3-ol
SMILESOc1ccc(Br)nc1
InChIInChI=1S/C5H4BrNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
InChIKeyPTEFNEALEPSHLC-UHFFFAOYSA-N
MW174.00 g/mol
LogP1.55
Rot. Bonds

About 6-bromopyridin-3-ol

6-bromopyridin-3-ol (PubChem CID 2762865) has the molecular formula C5H4BrNO and a molecular weight of 174.00 g/mol. Its IUPAC name is 6-bromopyridin-3-ol.

Molecular Properties

Compound Name6-bromopyridin-3-ol
PubChem CID2762865
Molecular FormulaC5H4BrNO
Molecular Weight174.00 g/mol
Exact Mass172.95
IUPAC Name6-bromopyridin-3-ol
SMILESOc1ccc(Br)nc1
InChIInChI=1S/C5H4BrNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
InChIKeyPTEFNEALEPSHLC-UHFFFAOYSA-N
XLogP1.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.00
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromopyridin-3-ol?
The IUPAC name of 6-bromopyridin-3-ol (CID 2762865) is 6-bromopyridin-3-ol.
What is the SMILES notation for 6-bromopyridin-3-ol?
The canonical SMILES for 6-bromopyridin-3-ol is Oc1ccc(Br)nc1.
What is the InChIKey of 6-bromopyridin-3-ol?
The InChIKey is PTEFNEALEPSHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO/c6-5-2-1-4(8)3-7-5/h1-3,8H.
What are the key properties of 6-bromopyridin-3-ol?
6-bromopyridin-3-ol has a molecular weight of 174.00 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridin-3-ol is sourced from PubChem (CID 2762865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).