(E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal

C13H10N2O — CID 22735171

IUPAC(E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal
SMILESO=C/C=C/c1cncc(-c2ccccn2)c1
InChIInChI=1S/C13H10N2O/c16-7-3-4-11-8-12(10-14-9-11)13-5-1-2-6-15-13/h1-10H/b4-3+
InChIKeyQZJPWZROHMVISM-ONEGZZNKSA-N
MW210.24 g/mol
LogP2.36
Rot. Bonds3

About (E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal

(E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal (PubChem CID 22735171) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is (E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal
PubChem CID22735171
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name(E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal
SMILESO=C/C=C/c1cncc(-c2ccccn2)c1
InChIInChI=1S/C13H10N2O/c16-7-3-4-11-8-12(10-14-9-11)13-5-1-2-6-15-13/h1-10H/b4-3+
InChIKeyQZJPWZROHMVISM-ONEGZZNKSA-N
XLogP2.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal?
The IUPAC name of (E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal (CID 22735171) is (E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal.
What is the SMILES notation for (E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal?
The canonical SMILES for (E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal is O=C/C=C/c1cncc(-c2ccccn2)c1.
What is the InChIKey of (E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal?
The InChIKey is QZJPWZROHMVISM-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H10N2O/c16-7-3-4-11-8-12(10-14-9-11)13-5-1-2-6-15-13/h1-10H/b4-3+.
What are the key properties of (E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal?
(E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal has a molecular weight of 210.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal is sourced from PubChem (CID 22735171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).