6-(3-chloroprop-1-enyl)pyridin-3-ol

C8H8ClNO — CID 169476869

IUPAC6-(3-chloroprop-1-enyl)pyridin-3-ol
SMILESOc1ccc(C=CCCl)nc1
InChIInChI=1S/C8H8ClNO/c9-5-1-2-7-3-4-8(11)6-10-7/h1-4,6,11H,5H2
InChIKeyGOUGQVQNPYEJNW-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.04
Rot. Bonds2

About 6-(3-chloroprop-1-enyl)pyridin-3-ol

6-(3-chloroprop-1-enyl)pyridin-3-ol (PubChem CID 169476869) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 6-(3-chloroprop-1-enyl)pyridin-3-ol.

Molecular Properties

Compound Name6-(3-chloroprop-1-enyl)pyridin-3-ol
PubChem CID169476869
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name6-(3-chloroprop-1-enyl)pyridin-3-ol
SMILESOc1ccc(C=CCCl)nc1
InChIInChI=1S/C8H8ClNO/c9-5-1-2-7-3-4-8(11)6-10-7/h1-4,6,11H,5H2
InChIKeyGOUGQVQNPYEJNW-UHFFFAOYSA-N
XLogP2.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroprop-1-enyl)pyridin-3-ol?
The IUPAC name of 6-(3-chloroprop-1-enyl)pyridin-3-ol (CID 169476869) is 6-(3-chloroprop-1-enyl)pyridin-3-ol.
What is the SMILES notation for 6-(3-chloroprop-1-enyl)pyridin-3-ol?
The canonical SMILES for 6-(3-chloroprop-1-enyl)pyridin-3-ol is Oc1ccc(C=CCCl)nc1.
What is the InChIKey of 6-(3-chloroprop-1-enyl)pyridin-3-ol?
The InChIKey is GOUGQVQNPYEJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-5-1-2-7-3-4-8(11)6-10-7/h1-4,6,11H,5H2.
What are the key properties of 6-(3-chloroprop-1-enyl)pyridin-3-ol?
6-(3-chloroprop-1-enyl)pyridin-3-ol has a molecular weight of 169.61 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroprop-1-enyl)pyridin-3-ol is sourced from PubChem (CID 169476869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).