2-bromo-6-chloropyridin-3-ol

C5H3BrClNO — CID 46738682

IUPAC2-bromo-6-chloropyridin-3-ol
SMILESOc1ccc(Cl)nc1Br
InChIInChI=1S/C5H3BrClNO/c6-5-3(9)1-2-4(7)8-5/h1-2,9H
InChIKeyFHKFKPWGFUMBAM-UHFFFAOYSA-N
MW208.44 g/mol
LogP2.20
Rot. Bonds

About 2-bromo-6-chloropyridin-3-ol

2-bromo-6-chloropyridin-3-ol (PubChem CID 46738682) has the molecular formula C5H3BrClNO and a molecular weight of 208.44 g/mol. Its IUPAC name is 2-bromo-6-chloropyridin-3-ol.

Molecular Properties

Compound Name2-bromo-6-chloropyridin-3-ol
PubChem CID46738682
Molecular FormulaC5H3BrClNO
Molecular Weight208.44 g/mol
Exact Mass206.91
IUPAC Name2-bromo-6-chloropyridin-3-ol
SMILESOc1ccc(Cl)nc1Br
InChIInChI=1S/C5H3BrClNO/c6-5-3(9)1-2-4(7)8-5/h1-2,9H
InChIKeyFHKFKPWGFUMBAM-UHFFFAOYSA-N
XLogP2.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.44
LogP ≤ 52.20
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 2-bromo-6-chloropyridin-3-ol?
The IUPAC name of 2-bromo-6-chloropyridin-3-ol (CID 46738682) is 2-bromo-6-chloropyridin-3-ol.
What is the SMILES notation for 2-bromo-6-chloropyridin-3-ol?
The canonical SMILES for 2-bromo-6-chloropyridin-3-ol is Oc1ccc(Cl)nc1Br.
What is the InChIKey of 2-bromo-6-chloropyridin-3-ol?
The InChIKey is FHKFKPWGFUMBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClNO/c6-5-3(9)1-2-4(7)8-5/h1-2,9H.
What are the key properties of 2-bromo-6-chloropyridin-3-ol?
2-bromo-6-chloropyridin-3-ol has a molecular weight of 208.44 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloropyridin-3-ol is sourced from PubChem (CID 46738682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).