3-(4-chlorophenyl)cinnoline-4-carbonitrile

C15H8ClN3 — CID 11010899

IUPAC3-(4-chlorophenyl)cinnoline-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)nnc2ccccc12
InChIInChI=1S/C15H8ClN3/c16-11-7-5-10(6-8-11)15-13(9-17)12-3-1-2-4-14(12)18-19-15/h1-8H
InChIKeyCXQFEBIFPNPIQJ-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.82
Rot. Bonds1

About 3-(4-chlorophenyl)cinnoline-4-carbonitrile

3-(4-chlorophenyl)cinnoline-4-carbonitrile (PubChem CID 11010899) has the molecular formula C15H8ClN3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)cinnoline-4-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)cinnoline-4-carbonitrile
PubChem CID11010899
Molecular FormulaC15H8ClN3
Molecular Weight265.70 g/mol
Exact Mass265.04
IUPAC Name3-(4-chlorophenyl)cinnoline-4-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)nnc2ccccc12
InChIInChI=1S/C15H8ClN3/c16-11-7-5-10(6-8-11)15-13(9-17)12-3-1-2-4-14(12)18-19-15/h1-8H
InChIKeyCXQFEBIFPNPIQJ-UHFFFAOYSA-N
XLogP3.82
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)cinnoline-4-carbonitrile?
The IUPAC name of 3-(4-chlorophenyl)cinnoline-4-carbonitrile (CID 11010899) is 3-(4-chlorophenyl)cinnoline-4-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)cinnoline-4-carbonitrile?
The canonical SMILES for 3-(4-chlorophenyl)cinnoline-4-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)nnc2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)cinnoline-4-carbonitrile?
The InChIKey is CXQFEBIFPNPIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3/c16-11-7-5-10(6-8-11)15-13(9-17)12-3-1-2-4-14(12)18-19-15/h1-8H.
What are the key properties of 3-(4-chlorophenyl)cinnoline-4-carbonitrile?
3-(4-chlorophenyl)cinnoline-4-carbonitrile has a molecular weight of 265.70 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)cinnoline-4-carbonitrile is sourced from PubChem (CID 11010899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).