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

C14H14N2O2 — CID 135520428

IUPAC(E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol
SMILESCc1ccc(/C(O)=C(\O)c2ccc(C)cn2)nc1
InChIInChI=1S/C14H14N2O2/c1-9-3-5-11(15-7-9)13(17)14(18)12-6-4-10(2)8-16-12/h3-8,17-18H,1-2H3/b14-13+
InChIKeyZYJSXHBSISRXTO-BUHFOSPRSA-N
MW242.28 g/mol
LogP3.04
Rot. Bonds2

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

(E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol (PubChem CID 135520428) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol.

Molecular Properties

Compound Name(E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol
PubChem CID135520428
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol
SMILESCc1ccc(/C(O)=C(\O)c2ccc(C)cn2)nc1
InChIInChI=1S/C14H14N2O2/c1-9-3-5-11(15-7-9)13(17)14(18)12-6-4-10(2)8-16-12/h3-8,17-18H,1-2H3/b14-13+
InChIKeyZYJSXHBSISRXTO-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'}

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Related Compounds

Pirmenol
CID 65502
Pirmenol Hydrochloride
CID 65501
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
Phenyl(pyridin-2-yl)methanol
CID 315585
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
1,2-Dipyridin-2-ylethane-1,2-diol
CID 95513
Doxylamine alcohol
CID 86883
4,4'-Bis(hydroxymethyl)-2,2'-bipyridine
CID 11160239
alpha-Methyl-2-pyridinemethanol
CID 86784
4-Hydroxy-4-pyridin-2-yl-cyclohexa-2,5-dienone
CID 482708
Tripyridin-2-ylmethanol
CID 4400709

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol?
The IUPAC name of (E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol (CID 135520428) is (E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol.
What is the SMILES notation for (E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol?
The canonical SMILES for (E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol is Cc1ccc(/C(O)=C(\O)c2ccc(C)cn2)nc1.
What is the InChIKey of (E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol?
The InChIKey is ZYJSXHBSISRXTO-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-3-5-11(15-7-9)13(17)14(18)12-6-4-10(2)8-16-12/h3-8,17-18H,1-2H3/b14-13+.
What are the key properties of (E)-1,2-bis(5-methyl-2-pyridinyl)ethene-1,2-diol?
(E)-1,2-bis(5-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(5-methyl-2-pyridinyl)ethene-1,2-diol is sourced from PubChem (CID 135520428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).