3-phenylcinnoline-4-carbonitrile

C15H9N3 — CID 10868127

IUPAC3-phenylcinnoline-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nnc2ccccc12
InChIInChI=1S/C15H9N3/c16-10-13-12-8-4-5-9-14(12)17-18-15(13)11-6-2-1-3-7-11/h1-9H
InChIKeyDRJTYCBLEXSORL-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.17
Rot. Bonds1

About 3-phenylcinnoline-4-carbonitrile

3-phenylcinnoline-4-carbonitrile (PubChem CID 10868127) has the molecular formula C15H9N3 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-phenylcinnoline-4-carbonitrile.

Molecular Properties

Compound Name3-phenylcinnoline-4-carbonitrile
PubChem CID10868127
Molecular FormulaC15H9N3
Molecular Weight231.26 g/mol
Exact Mass231.08
IUPAC Name3-phenylcinnoline-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nnc2ccccc12
InChIInChI=1S/C15H9N3/c16-10-13-12-8-4-5-9-14(12)17-18-15(13)11-6-2-1-3-7-11/h1-9H
InChIKeyDRJTYCBLEXSORL-UHFFFAOYSA-N
XLogP3.17
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylcinnoline-4-carbonitrile?
The IUPAC name of 3-phenylcinnoline-4-carbonitrile (CID 10868127) is 3-phenylcinnoline-4-carbonitrile.
What is the SMILES notation for 3-phenylcinnoline-4-carbonitrile?
The canonical SMILES for 3-phenylcinnoline-4-carbonitrile is N#Cc1c(-c2ccccc2)nnc2ccccc12.
What is the InChIKey of 3-phenylcinnoline-4-carbonitrile?
The InChIKey is DRJTYCBLEXSORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3/c16-10-13-12-8-4-5-9-14(12)17-18-15(13)11-6-2-1-3-7-11/h1-9H.
What are the key properties of 3-phenylcinnoline-4-carbonitrile?
3-phenylcinnoline-4-carbonitrile has a molecular weight of 231.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylcinnoline-4-carbonitrile is sourced from PubChem (CID 10868127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).