3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile

C13H8N2O2 — CID 136954901

IUPAC3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c(-c2cc(C=O)ccn2)c1
InChIInChI=1S/C13H8N2O2/c14-7-9-1-2-13(17)11(5-9)12-6-10(8-16)3-4-15-12/h1-6,8,17H
InChIKeyCUOMPHNZIQKWMP-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.14
Rot. Bonds2

About 3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile

3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile (PubChem CID 136954901) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile
PubChem CID136954901
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c(-c2cc(C=O)ccn2)c1
InChIInChI=1S/C13H8N2O2/c14-7-9-1-2-13(17)11(5-9)12-6-10(8-16)3-4-15-12/h1-6,8,17H
InChIKeyCUOMPHNZIQKWMP-UHFFFAOYSA-N
XLogP2.14
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile?
The IUPAC name of 3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile (CID 136954901) is 3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile.
What is the SMILES notation for 3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile?
The canonical SMILES for 3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile is N#Cc1ccc(O)c(-c2cc(C=O)ccn2)c1.
What is the InChIKey of 3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile?
The InChIKey is CUOMPHNZIQKWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c14-7-9-1-2-13(17)11(5-9)12-6-10(8-16)3-4-15-12/h1-6,8,17H.
What are the key properties of 3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile?
3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile has a molecular weight of 224.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formyl-2-pyridinyl)-4-hydroxybenzonitrile is sourced from PubChem (CID 136954901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).