5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile

C12H7NO2S — CID 53219922

IUPAC5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile
SMILESN#Cc1cc(-c2ccc(C=O)s2)ccc1O
InChIInChI=1S/C12H7NO2S/c13-6-9-5-8(1-3-11(9)15)12-4-2-10(7-14)16-12/h1-5,7,15H
InChIKeyQWACAUJEVOXQTC-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.80
Rot. Bonds2

About 5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile

5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile (PubChem CID 53219922) has the molecular formula C12H7NO2S and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile
PubChem CID53219922
Molecular FormulaC12H7NO2S
Molecular Weight229.26 g/mol
Exact Mass229.02
IUPAC Name5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile
SMILESN#Cc1cc(-c2ccc(C=O)s2)ccc1O
InChIInChI=1S/C12H7NO2S/c13-6-9-5-8(1-3-11(9)15)12-4-2-10(7-14)16-12/h1-5,7,15H
InChIKeyQWACAUJEVOXQTC-UHFFFAOYSA-N
XLogP2.80
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.80
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 5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile?
The IUPAC name of 5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile (CID 53219922) is 5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile?
The canonical SMILES for 5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile is N#Cc1cc(-c2ccc(C=O)s2)ccc1O.
What is the InChIKey of 5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile?
The InChIKey is QWACAUJEVOXQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2S/c13-6-9-5-8(1-3-11(9)15)12-4-2-10(7-14)16-12/h1-5,7,15H.
What are the key properties of 5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile?
5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile has a molecular weight of 229.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile is sourced from PubChem (CID 53219922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).