6-chloro-5-ethynylpyridin-3-ol

C7H4ClNO — CID 74892576

IUPAC6-chloro-5-ethynylpyridin-3-ol
SMILESC#Cc1cc(O)cnc1Cl
InChIInChI=1S/C7H4ClNO/c1-2-5-3-6(10)4-9-7(5)8/h1,3-4,10H
InChIKeyRNOXXFOOQMVXMY-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.42
Rot. Bonds

About 6-chloro-5-ethynylpyridin-3-ol

6-chloro-5-ethynylpyridin-3-ol (PubChem CID 74892576) has the molecular formula C7H4ClNO and a molecular weight of 153.57 g/mol. Its IUPAC name is 6-chloro-5-ethynylpyridin-3-ol.

Molecular Properties

Compound Name6-chloro-5-ethynylpyridin-3-ol
PubChem CID74892576
Molecular FormulaC7H4ClNO
Molecular Weight153.57 g/mol
Exact Mass153.00
IUPAC Name6-chloro-5-ethynylpyridin-3-ol
SMILESC#Cc1cc(O)cnc1Cl
InChIInChI=1S/C7H4ClNO/c1-2-5-3-6(10)4-9-7(5)8/h1,3-4,10H
InChIKeyRNOXXFOOQMVXMY-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethynylpyridin-3-ol?
The IUPAC name of 6-chloro-5-ethynylpyridin-3-ol (CID 74892576) is 6-chloro-5-ethynylpyridin-3-ol.
What is the SMILES notation for 6-chloro-5-ethynylpyridin-3-ol?
The canonical SMILES for 6-chloro-5-ethynylpyridin-3-ol is C#Cc1cc(O)cnc1Cl.
What is the InChIKey of 6-chloro-5-ethynylpyridin-3-ol?
The InChIKey is RNOXXFOOQMVXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO/c1-2-5-3-6(10)4-9-7(5)8/h1,3-4,10H.
What are the key properties of 6-chloro-5-ethynylpyridin-3-ol?
6-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 6-chloro-5-ethynylpyridin-3-ol is sourced from PubChem (CID 74892576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).