2-chloro-5-ethynylpyridin-3-ol

C7H4ClNO — CID 74892636

IUPAC2-chloro-5-ethynylpyridin-3-ol
SMILESC#Cc1cnc(Cl)c(O)c1
InChIInChI=1S/C7H4ClNO/c1-2-5-3-6(10)7(8)9-4-5/h1,3-4,10H
InChIKeyTWUJWHKAYXFUGQ-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.42
Rot. Bonds

About 2-chloro-5-ethynylpyridin-3-ol

2-chloro-5-ethynylpyridin-3-ol (PubChem CID 74892636) has the molecular formula C7H4ClNO and a molecular weight of 153.57 g/mol. Its IUPAC name is 2-chloro-5-ethynylpyridin-3-ol.

Molecular Properties

Compound Name2-chloro-5-ethynylpyridin-3-ol
PubChem CID74892636
Molecular FormulaC7H4ClNO
Molecular Weight153.57 g/mol
Exact Mass153.00
IUPAC Name2-chloro-5-ethynylpyridin-3-ol
SMILESC#Cc1cnc(Cl)c(O)c1
InChIInChI=1S/C7H4ClNO/c1-2-5-3-6(10)7(8)9-4-5/h1,3-4,10H
InChIKeyTWUJWHKAYXFUGQ-UHFFFAOYSA-N
XLogP1.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-5-ethynylpyridin-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-5-ethynylpyridin-3-ol?
The IUPAC name of 2-chloro-5-ethynylpyridin-3-ol (CID 74892636) is 2-chloro-5-ethynylpyridin-3-ol.
What is the SMILES notation for 2-chloro-5-ethynylpyridin-3-ol?
The canonical SMILES for 2-chloro-5-ethynylpyridin-3-ol is C#Cc1cnc(Cl)c(O)c1.
What is the InChIKey of 2-chloro-5-ethynylpyridin-3-ol?
The InChIKey is TWUJWHKAYXFUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO/c1-2-5-3-6(10)7(8)9-4-5/h1,3-4,10H.
What are the key properties of 2-chloro-5-ethynylpyridin-3-ol?
2-chloro-5-ethynylpyridin-3-ol has a molecular weight of 153.57 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethynylpyridin-3-ol is sourced from PubChem (CID 74892636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).