3-chlorocinnoline

C8H5ClN2 — CID 11194524

IUPAC3-chlorocinnoline
SMILESClc1cc2ccccc2nn1
InChIInChI=1S/C8H5ClN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H
InChIKeyREUOCJLVDZPJEK-UHFFFAOYSA-N
MW164.59 g/mol
LogP2.28
Rot. Bonds

About 3-chlorocinnoline

3-chlorocinnoline (PubChem CID 11194524) has the molecular formula C8H5ClN2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 3-chlorocinnoline.

Molecular Properties

Compound Name3-chlorocinnoline
PubChem CID11194524
Molecular FormulaC8H5ClN2
Molecular Weight164.59 g/mol
Exact Mass164.01
IUPAC Name3-chlorocinnoline
SMILESClc1cc2ccccc2nn1
InChIInChI=1S/C8H5ClN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H
InChIKeyREUOCJLVDZPJEK-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 3-chlorocinnoline?
The IUPAC name of 3-chlorocinnoline (CID 11194524) is 3-chlorocinnoline.
What is the SMILES notation for 3-chlorocinnoline?
The canonical SMILES for 3-chlorocinnoline is Clc1cc2ccccc2nn1.
What is the InChIKey of 3-chlorocinnoline?
The InChIKey is REUOCJLVDZPJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H.
What are the key properties of 3-chlorocinnoline?
3-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 3-chlorocinnoline is sourced from PubChem (CID 11194524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).