2-chloro-4-iodopyridin-3-ol

C5H3ClINO — CID 23440125

IUPAC2-chloro-4-iodopyridin-3-ol
SMILESOc1c(I)ccnc1Cl
InChIInChI=1S/C5H3ClINO/c6-5-4(9)3(7)1-2-8-5/h1-2,9H
InChIKeyXJKLBLXOJIBRNJ-UHFFFAOYSA-N
MW255.44 g/mol
LogP2.05
Rot. Bonds

About 2-chloro-4-iodopyridin-3-ol

2-chloro-4-iodopyridin-3-ol (PubChem CID 23440125) has the molecular formula C5H3ClINO and a molecular weight of 255.44 g/mol. Its IUPAC name is 2-chloro-4-iodopyridin-3-ol.

Molecular Properties

Compound Name2-chloro-4-iodopyridin-3-ol
PubChem CID23440125
Molecular FormulaC5H3ClINO
Molecular Weight255.44 g/mol
Exact Mass254.89
IUPAC Name2-chloro-4-iodopyridin-3-ol
SMILESOc1c(I)ccnc1Cl
InChIInChI=1S/C5H3ClINO/c6-5-4(9)3(7)1-2-8-5/h1-2,9H
InChIKeyXJKLBLXOJIBRNJ-UHFFFAOYSA-N
XLogP2.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-iodopyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodopyridin-3-ol?
The IUPAC name of 2-chloro-4-iodopyridin-3-ol (CID 23440125) is 2-chloro-4-iodopyridin-3-ol.
What is the SMILES notation for 2-chloro-4-iodopyridin-3-ol?
The canonical SMILES for 2-chloro-4-iodopyridin-3-ol is Oc1c(I)ccnc1Cl.
What is the InChIKey of 2-chloro-4-iodopyridin-3-ol?
The InChIKey is XJKLBLXOJIBRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClINO/c6-5-4(9)3(7)1-2-8-5/h1-2,9H.
What are the key properties of 2-chloro-4-iodopyridin-3-ol?
2-chloro-4-iodopyridin-3-ol has a molecular weight of 255.44 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodopyridin-3-ol is sourced from PubChem (CID 23440125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).