(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal

C12H10N2O2 — CID 87130360

IUPAC(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal
SMILESCOc1ccc2nccc(/C=C/C=O)c2n1
InChIInChI=1S/C12H10N2O2/c1-16-11-5-4-10-12(14-11)9(3-2-8-15)6-7-13-10/h2-8H,1H3/b3-2+
InChIKeyKQWSZGSOBYJJPA-NSCUHMNNSA-N
MW214.22 g/mol
LogP1.85
Rot. Bonds3

About (E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal

(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal (PubChem CID 87130360) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is (E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal
PubChem CID87130360
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal
SMILESCOc1ccc2nccc(/C=C/C=O)c2n1
InChIInChI=1S/C12H10N2O2/c1-16-11-5-4-10-12(14-11)9(3-2-8-15)6-7-13-10/h2-8H,1H3/b3-2+
InChIKeyKQWSZGSOBYJJPA-NSCUHMNNSA-N
XLogP1.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal?
The IUPAC name of (E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal (CID 87130360) is (E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal.
What is the SMILES notation for (E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal?
The canonical SMILES for (E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal is COc1ccc2nccc(/C=C/C=O)c2n1.
What is the InChIKey of (E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal?
The InChIKey is KQWSZGSOBYJJPA-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-11-5-4-10-12(14-11)9(3-2-8-15)6-7-13-10/h2-8H,1H3/b3-2+.
What are the key properties of (E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal?
(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal has a molecular weight of 214.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal is sourced from PubChem (CID 87130360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).