(E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol

C14H14N2O2 — CID 135502910

IUPAC(E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol
SMILESCc1cccc(/C(O)=C(\O)c2cccc(C)n2)n1
InChIInChI=1S/C14H14N2O2/c1-9-5-3-7-11(15-9)13(17)14(18)12-8-4-6-10(2)16-12/h3-8,17-18H,1-2H3/b14-13+
InChIKeyYVWCFJNUJQRINX-BUHFOSPRSA-N
MW242.28 g/mol
LogP3.04
Rot. Bonds2

About (E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol

(E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol (PubChem CID 135502910) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol.

Molecular Properties

Compound Name(E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol
PubChem CID135502910
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol
SMILESCc1cccc(/C(O)=C(\O)c2cccc(C)n2)n1
InChIInChI=1S/C14H14N2O2/c1-9-5-3-7-11(15-9)13(17)14(18)12-8-4-6-10(2)16-12/h3-8,17-18H,1-2H3/b14-13+
InChIKeyYVWCFJNUJQRINX-BUHFOSPRSA-N
XLogP3.04
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol?
The IUPAC name of (E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol (CID 135502910) is (E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol.
What is the SMILES notation for (E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol?
The canonical SMILES for (E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol is Cc1cccc(/C(O)=C(\O)c2cccc(C)n2)n1.
What is the InChIKey of (E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol?
The InChIKey is YVWCFJNUJQRINX-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-5-3-7-11(15-9)13(17)14(18)12-8-4-6-10(2)16-12/h3-8,17-18H,1-2H3/b14-13+.
What are the key properties of (E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol?
(E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol has a molecular weight of 242.28 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(6-methyl-2-pyridinyl)ethene-1,2-diol is sourced from PubChem (CID 135502910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).