(E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol

C14H14N2O4 — CID 135502922

IUPAC(E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol
SMILESCOc1ccc(/C(O)=C(\O)c2ccc(OC)cn2)nc1
InChIInChI=1S/C14H14N2O4/c1-19-9-3-5-11(15-7-9)13(17)14(18)12-6-4-10(20-2)8-16-12/h3-8,17-18H,1-2H3/b14-13+
InChIKeyXKYUWKARMWXYFG-BUHFOSPRSA-N
MW274.28 g/mol
LogP2.44
Rot. Bonds4

About (E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol

(E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol (PubChem CID 135502922) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol.

Molecular Properties

Compound Name(E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol
PubChem CID135502922
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol
SMILESCOc1ccc(/C(O)=C(\O)c2ccc(OC)cn2)nc1
InChIInChI=1S/C14H14N2O4/c1-19-9-3-5-11(15-7-9)13(17)14(18)12-6-4-10(20-2)8-16-12/h3-8,17-18H,1-2H3/b14-13+
InChIKeyXKYUWKARMWXYFG-BUHFOSPRSA-N
XLogP2.44
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol?
The IUPAC name of (E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol (CID 135502922) is (E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol.
What is the SMILES notation for (E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol?
The canonical SMILES for (E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol is COc1ccc(/C(O)=C(\O)c2ccc(OC)cn2)nc1.
What is the InChIKey of (E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol?
The InChIKey is XKYUWKARMWXYFG-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-9-3-5-11(15-7-9)13(17)14(18)12-6-4-10(20-2)8-16-12/h3-8,17-18H,1-2H3/b14-13+.
What are the key properties of (E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol?
(E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol has a molecular weight of 274.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(5-methoxy-2-pyridinyl)ethene-1,2-diol is sourced from PubChem (CID 135502922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).