(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol

C8H8ClNO — CID 10725825

IUPAC(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc(Cl)nc1
InChIInChI=1S/C8H8ClNO/c9-8-4-3-7(6-10-8)2-1-5-11/h1-4,6,11H,5H2/b2-1+
InChIKeyMGVVNBKNKNRHCA-OWOJBTEDSA-N
MW169.61 g/mol
LogP1.74
Rot. Bonds2

About (E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol

(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol (PubChem CID 10725825) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is (E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol
PubChem CID10725825
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc(Cl)nc1
InChIInChI=1S/C8H8ClNO/c9-8-4-3-7(6-10-8)2-1-5-11/h1-4,6,11H,5H2/b2-1+
InChIKeyMGVVNBKNKNRHCA-OWOJBTEDSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol (CID 10725825) is (E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol is OC/C=C/c1ccc(Cl)nc1.
What is the InChIKey of (E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol?
The InChIKey is MGVVNBKNKNRHCA-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-8-4-3-7(6-10-8)2-1-5-11/h1-4,6,11H,5H2/b2-1+.
What are the key properties of (E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol?
(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol has a molecular weight of 169.61 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol is sourced from PubChem (CID 10725825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).