4-(4-chlorophenyl)-3-formylbenzonitrile

C14H8ClNO — CID 175454533

IUPAC4-(4-chlorophenyl)-3-formylbenzonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)c(C=O)c1
InChIInChI=1S/C14H8ClNO/c15-13-4-2-11(3-5-13)14-6-1-10(8-16)7-12(14)9-17/h1-7,9H
InChIKeyPUZWFVQXOGEONT-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.69
Rot. Bonds2

About 4-(4-chlorophenyl)-3-formylbenzonitrile

4-(4-chlorophenyl)-3-formylbenzonitrile (PubChem CID 175454533) has the molecular formula C14H8ClNO and a molecular weight of 241.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-formylbenzonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-formylbenzonitrile
PubChem CID175454533
Molecular FormulaC14H8ClNO
Molecular Weight241.68 g/mol
Exact Mass241.03
IUPAC Name4-(4-chlorophenyl)-3-formylbenzonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2)c(C=O)c1
InChIInChI=1S/C14H8ClNO/c15-13-4-2-11(3-5-13)14-6-1-10(8-16)7-12(14)9-17/h1-7,9H
InChIKeyPUZWFVQXOGEONT-UHFFFAOYSA-N
XLogP3.69
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-3-formylbenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-chloro-6-methyl-4-pyridinyl)-3-formylbenzonitrile
CID 172608778
3-(4-chlorophenyl)-4-fluorobenzonitrile
CID 82115906
3-(4-fluorophenyl)-4-formylbenzonitrile
CID 102284559
3-formyl-4-hydroxybenzonitrile
CID 11789350
4-(4-cyano-2-formylphenyl)-7-fluoro-1,3-dihydroisoindole-2-carbonitrile
CID 130445601
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
4-(4-bromophenyl)-3-ethenylbenzonitrile
CID 121247724
2-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)benzaldehyde
CID 87315670
4-(4-chloro-2-formyl-N-methylanilino)benzonitrile
CID 114844270
5-(4-chlorophenyl)benzene-1,3-dicarbonitrile
CID 142726083
4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile
CID 107665713
3-bromo-4-formylbenzonitrile
CID 20510518

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-formylbenzonitrile?
The IUPAC name of 4-(4-chlorophenyl)-3-formylbenzonitrile (CID 175454533) is 4-(4-chlorophenyl)-3-formylbenzonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-3-formylbenzonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-3-formylbenzonitrile is N#Cc1ccc(-c2ccc(Cl)cc2)c(C=O)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-formylbenzonitrile?
The InChIKey is PUZWFVQXOGEONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO/c15-13-4-2-11(3-5-13)14-6-1-10(8-16)7-12(14)9-17/h1-7,9H.
What are the key properties of 4-(4-chlorophenyl)-3-formylbenzonitrile?
4-(4-chlorophenyl)-3-formylbenzonitrile has a molecular weight of 241.68 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-formylbenzonitrile is sourced from PubChem (CID 175454533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).