3,4-dichlorocinnoline

C8H4Cl2N2 — CID 14643415

IUPAC3,4-dichlorocinnoline
SMILESClc1nnc2ccccc2c1Cl
InChIInChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)11-12-8(7)10/h1-4H
InChIKeyTUZOGAXBRCITFU-UHFFFAOYSA-N
MW199.04 g/mol
LogP2.94
Rot. Bonds

About 3,4-dichlorocinnoline

3,4-dichlorocinnoline (PubChem CID 14643415) has the molecular formula C8H4Cl2N2 and a molecular weight of 199.04 g/mol. Its IUPAC name is 3,4-dichlorocinnoline.

Molecular Properties

Compound Name3,4-dichlorocinnoline
PubChem CID14643415
Molecular FormulaC8H4Cl2N2
Molecular Weight199.04 g/mol
Exact Mass197.98
IUPAC Name3,4-dichlorocinnoline
SMILESClc1nnc2ccccc2c1Cl
InChIInChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)11-12-8(7)10/h1-4H
InChIKeyTUZOGAXBRCITFU-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichlorocinnoline?
The IUPAC name of 3,4-dichlorocinnoline (CID 14643415) is 3,4-dichlorocinnoline.
What is the SMILES notation for 3,4-dichlorocinnoline?
The canonical SMILES for 3,4-dichlorocinnoline is Clc1nnc2ccccc2c1Cl.
What is the InChIKey of 3,4-dichlorocinnoline?
The InChIKey is TUZOGAXBRCITFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)11-12-8(7)10/h1-4H.
What are the key properties of 3,4-dichlorocinnoline?
3,4-dichlorocinnoline has a molecular weight of 199.04 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichlorocinnoline is sourced from PubChem (CID 14643415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).