3-methylcinnoline

C9H8N2 — CID 575522

IUPAC3-methylcinnoline
SMILESCc1cc2ccccc2nn1
InChIInChI=1S/C9H8N2/c1-7-6-8-4-2-3-5-9(8)11-10-7/h2-6H,1H3
InChIKeyCEYRROMZZGLFSL-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.94
Rot. Bonds

About 3-methylcinnoline

3-methylcinnoline (PubChem CID 575522) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 3-methylcinnoline.

Molecular Properties

Compound Name3-methylcinnoline
PubChem CID575522
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name3-methylcinnoline
SMILESCc1cc2ccccc2nn1
InChIInChI=1S/C9H8N2/c1-7-6-8-4-2-3-5-9(8)11-10-7/h2-6H,1H3
InChIKeyCEYRROMZZGLFSL-UHFFFAOYSA-N
XLogP1.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylcinnoline?
The IUPAC name of 3-methylcinnoline (CID 575522) is 3-methylcinnoline.
What is the SMILES notation for 3-methylcinnoline?
The canonical SMILES for 3-methylcinnoline is Cc1cc2ccccc2nn1.
What is the InChIKey of 3-methylcinnoline?
The InChIKey is CEYRROMZZGLFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-7-6-8-4-2-3-5-9(8)11-10-7/h2-6H,1H3.
What are the key properties of 3-methylcinnoline?
3-methylcinnoline has a molecular weight of 144.18 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcinnoline is sourced from PubChem (CID 575522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).