6-chloropyridin-3-ol

C5H4ClNO — CID 819821

IUPAC6-chloropyridin-3-ol
SMILESOc1ccc(Cl)nc1
InChIInChI=1S/C5H4ClNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
InChIKeyKVCOOWROABTXDJ-UHFFFAOYSA-N
MW129.55 g/mol
LogP1.44
Rot. Bonds

About 6-chloropyridin-3-ol

6-chloropyridin-3-ol (PubChem CID 819821) has the molecular formula C5H4ClNO and a molecular weight of 129.55 g/mol. Its IUPAC name is 6-chloropyridin-3-ol.

Molecular Properties

Compound Name6-chloropyridin-3-ol
PubChem CID819821
Molecular FormulaC5H4ClNO
Molecular Weight129.55 g/mol
Exact Mass129.00
IUPAC Name6-chloropyridin-3-ol
SMILESOc1ccc(Cl)nc1
InChIInChI=1S/C5H4ClNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
InChIKeyKVCOOWROABTXDJ-UHFFFAOYSA-N
XLogP1.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.55
LogP ≤ 51.44
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-chloropyridin-3-ol?
The IUPAC name of 6-chloropyridin-3-ol (CID 819821) is 6-chloropyridin-3-ol.
What is the SMILES notation for 6-chloropyridin-3-ol?
The canonical SMILES for 6-chloropyridin-3-ol is Oc1ccc(Cl)nc1.
What is the InChIKey of 6-chloropyridin-3-ol?
The InChIKey is KVCOOWROABTXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO/c6-5-2-1-4(8)3-7-5/h1-3,8H.
What are the key properties of 6-chloropyridin-3-ol?
6-chloropyridin-3-ol has a molecular weight of 129.55 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridin-3-ol is sourced from PubChem (CID 819821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).