3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one

C12H8BrClN2O — CID 14171574

IUPAC3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one
SMILESCn1c2cc(Cl)ccc2c(=O)c2ccc(Br)n21
InChIInChI=1S/C12H8BrClN2O/c1-15-10-6-7(14)2-3-8(10)12(17)9-4-5-11(13)16(9)15/h2-6H,1H3
InChIKeyDNOYUYFRYGPZCO-UHFFFAOYSA-N
MW311.57 g/mol
LogP3.21
Rot. Bonds

About 3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one

3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one (PubChem CID 14171574) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one.

Molecular Properties

Compound Name3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one
PubChem CID14171574
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC Name3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one
SMILESCn1c2cc(Cl)ccc2c(=O)c2ccc(Br)n21
InChIInChI=1S/C12H8BrClN2O/c1-15-10-6-7(14)2-3-8(10)12(17)9-4-5-11(13)16(9)15/h2-6H,1H3
InChIKeyDNOYUYFRYGPZCO-UHFFFAOYSA-N
XLogP3.21
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10(5H)-one
CID 14171569
7-chloropyrrolo[1,2-b]cinnolin-10(5H)-one
CID 14171570
3-Chloro-5-methylpyrrolo[1,2-b]cinnolin-10(5H)-one
CID 14171571
3,7-dichloro-5-methylpyrrolo[1,2-b]cinnolin-10(5H)-one
CID 14171572
3-Bromo-5-methylpyrrolo[1,2-b]cinnolin-10(5H)-one
CID 14171573
7-Chloro-5-propylpyrrolo[1,2-b]cinnolin-10(5H)-one
CID 14171577
5-Benzyl-7-chloropyrrolo[1,2-b]cinnolin-10(5H)-one
CID 14171579
5-Benzyl-3-bromo-7-chloropyrrolo[1,2-b]cinnolin-10-one
CID 14171580
5-Benzyl-3,7-dichloropyrrolo[1,2-b]cinnolin-10(5H)-one
CID 14371424
1-(3-Bromo-6-chloro-1-methylindol-2-yl)ethanone
CID 115052364

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one?
The IUPAC name of 3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one (CID 14171574) is 3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one.
What is the SMILES notation for 3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one?
The canonical SMILES for 3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one is Cn1c2cc(Cl)ccc2c(=O)c2ccc(Br)n21.
What is the InChIKey of 3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one?
The InChIKey is DNOYUYFRYGPZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c1-15-10-6-7(14)2-3-8(10)12(17)9-4-5-11(13)16(9)15/h2-6H,1H3.
What are the key properties of 3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one?
3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one has a molecular weight of 311.57 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-5-methylpyrrolo[1,2-b]cinnolin-10-one is sourced from PubChem (CID 14171574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).