benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine

C18H16N2O2 — CID 71422770

IUPACbenzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine
SMILESC(=Cc1ccncc1)c1ccncc1.Oc1ccccc1O
InChIInChI=1S/C12H10N2.C6H6O2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;7-5-3-1-2-4-6(5)8/h1-10H;1-4,7-8H
InChIKeyCBDLJAPHALLJIT-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.74
Rot. Bonds2

About benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine

benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine (PubChem CID 71422770) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine.

Molecular Properties

Compound Namebenzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine
PubChem CID71422770
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namebenzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine
SMILESC(=Cc1ccncc1)c1ccncc1.Oc1ccccc1O
InChIInChI=1S/C12H10N2.C6H6O2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;7-5-3-1-2-4-6(5)8/h1-10H;1-4,7-8H
InChIKeyCBDLJAPHALLJIT-UHFFFAOYSA-N
XLogP3.74
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine?
The IUPAC name of benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine (CID 71422770) is benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine.
What is the SMILES notation for benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine?
The canonical SMILES for benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine is C(=Cc1ccncc1)c1ccncc1.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine?
The InChIKey is CBDLJAPHALLJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2.C6H6O2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;7-5-3-1-2-4-6(5)8/h1-10H;1-4,7-8H.
What are the key properties of benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine?
benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine has a molecular weight of 292.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;4-(2-pyridin-4-ylethenyl)pyridine is sourced from PubChem (CID 71422770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).