1-(5-chloro-2-pyridinyl)prop-2-en-1-ol

C8H8ClNO — CID 105108484

IUPAC1-(5-chloro-2-pyridinyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(Cl)cn1
InChIInChI=1S/C8H8ClNO/c1-2-8(11)7-4-3-6(9)5-10-7/h2-5,8,11H,1H2
InChIKeySGKQYIIVVNLSTL-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.95
Rot. Bonds2

About 1-(5-chloro-2-pyridinyl)prop-2-en-1-ol

1-(5-chloro-2-pyridinyl)prop-2-en-1-ol (PubChem CID 105108484) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)prop-2-en-1-ol
PubChem CID105108484
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name1-(5-chloro-2-pyridinyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(Cl)cn1
InChIInChI=1S/C8H8ClNO/c1-2-8(11)7-4-3-6(9)5-10-7/h2-5,8,11H,1H2
InChIKeySGKQYIIVVNLSTL-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)prop-2-en-1-ol?
The IUPAC name of 1-(5-chloro-2-pyridinyl)prop-2-en-1-ol (CID 105108484) is 1-(5-chloro-2-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)prop-2-en-1-ol is C=CC(O)c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)prop-2-en-1-ol?
The InChIKey is SGKQYIIVVNLSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-2-8(11)7-4-3-6(9)5-10-7/h2-5,8,11H,1H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)prop-2-en-1-ol?
1-(5-chloro-2-pyridinyl)prop-2-en-1-ol has a molecular weight of 169.61 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)prop-2-en-1-ol is sourced from PubChem (CID 105108484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).