4-chlorocinnoline

C8H5ClN2 — CID 10909904

IUPAC4-chlorocinnoline
SMILESClc1cnnc2ccccc12
InChIInChI=1S/C8H5ClN2/c9-7-5-10-11-8-4-2-1-3-6(7)8/h1-5H
InChIKeyIJSFFUOWXQRDMS-UHFFFAOYSA-N
MW164.59 g/mol
LogP2.28
Rot. Bonds

About 4-chlorocinnoline

4-chlorocinnoline (PubChem CID 10909904) has the molecular formula C8H5ClN2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 4-chlorocinnoline.

Molecular Properties

Compound Name4-chlorocinnoline
PubChem CID10909904
Molecular FormulaC8H5ClN2
Molecular Weight164.59 g/mol
Exact Mass164.01
IUPAC Name4-chlorocinnoline
SMILESClc1cnnc2ccccc12
InChIInChI=1S/C8H5ClN2/c9-7-5-10-11-8-4-2-1-3-6(7)8/h1-5H
InChIKeyIJSFFUOWXQRDMS-UHFFFAOYSA-N
XLogP2.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chlorocinnoline?
The IUPAC name of 4-chlorocinnoline (CID 10909904) is 4-chlorocinnoline.
What is the SMILES notation for 4-chlorocinnoline?
The canonical SMILES for 4-chlorocinnoline is Clc1cnnc2ccccc12.
What is the InChIKey of 4-chlorocinnoline?
The InChIKey is IJSFFUOWXQRDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2/c9-7-5-10-11-8-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 4-chlorocinnoline?
4-chlorocinnoline has a molecular weight of 164.59 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorocinnoline is sourced from PubChem (CID 10909904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).