3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one

C12H9ClN2O — CID 14171571

IUPAC3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one
SMILESCn1c2ccccc2c(=O)c2ccc(Cl)n21
InChIInChI=1S/C12H9ClN2O/c1-14-9-5-3-2-4-8(9)12(16)10-6-7-11(13)15(10)14/h2-7H,1H3
InChIKeyZBTYDOKHOIRBEB-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.44
Rot. Bonds

About 3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one

3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one (PubChem CID 14171571) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one.

Molecular Properties

Compound Name3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one
PubChem CID14171571
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one
SMILESCn1c2ccccc2c(=O)c2ccc(Cl)n21
InChIInChI=1S/C12H9ClN2O/c1-14-9-5-3-2-4-8(9)12(16)10-6-7-11(13)15(10)14/h2-7H,1H3
InChIKeyZBTYDOKHOIRBEB-UHFFFAOYSA-N
XLogP2.44
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one?
The IUPAC name of 3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one (CID 14171571) is 3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one.
What is the SMILES notation for 3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one?
The canonical SMILES for 3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one is Cn1c2ccccc2c(=O)c2ccc(Cl)n21.
What is the InChIKey of 3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one?
The InChIKey is ZBTYDOKHOIRBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c1-14-9-5-3-2-4-8(9)12(16)10-6-7-11(13)15(10)14/h2-7H,1H3.
What are the key properties of 3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one?
3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one has a molecular weight of 232.67 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one is sourced from PubChem (CID 14171571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).