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

C12H9BrN2O — CID 14171573

IUPAC3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one
SMILESCn1c2ccccc2c(=O)c2ccc(Br)n21
InChIInChI=1S/C12H9BrN2O/c1-14-9-5-3-2-4-8(9)12(16)10-6-7-11(13)15(10)14/h2-7H,1H3
InChIKeyAWGHMJRCMGZZNA-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.55
Rot. Bonds

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

3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one (PubChem CID 14171573) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one.

Molecular Properties

Compound Name3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one
PubChem CID14171573
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one
SMILESCn1c2ccccc2c(=O)c2ccc(Br)n21
InChIInChI=1S/C12H9BrN2O/c1-14-9-5-3-2-4-8(9)12(16)10-6-7-11(13)15(10)14/h2-7H,1H3
InChIKeyAWGHMJRCMGZZNA-UHFFFAOYSA-N
XLogP2.55
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one?
The IUPAC name of 3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one (CID 14171573) is 3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one.
What is the SMILES notation for 3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one?
The canonical SMILES for 3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one is Cn1c2ccccc2c(=O)c2ccc(Br)n21.
What is the InChIKey of 3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one?
The InChIKey is AWGHMJRCMGZZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/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-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one?
3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one has a molecular weight of 277.12 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methylpyrrolo[1,2-b]cinnolin-10-one is sourced from PubChem (CID 14171573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).