6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one

C11H7BrClN3O — CID 165344986

IUPAC6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one
SMILESCc1cc(Br)c2[nH]c3c(=O)[nH]nc(Cl)c3c2c1
InChIInChI=1S/C11H7BrClN3O/c1-4-2-5-7-9(11(17)16-15-10(7)13)14-8(5)6(12)3-4/h2-3,14H,1H3,(H,16,17)
InChIKeyLIANXEFKQNTRRY-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.13
Rot. Bonds

About 6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one

6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one (PubChem CID 165344986) has the molecular formula C11H7BrClN3O and a molecular weight of 312.55 g/mol. Its IUPAC name is 6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one
PubChem CID165344986
Molecular FormulaC11H7BrClN3O
Molecular Weight312.55 g/mol
Exact Mass310.95
IUPAC Name6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one
SMILESCc1cc(Br)c2[nH]c3c(=O)[nH]nc(Cl)c3c2c1
InChIInChI=1S/C11H7BrClN3O/c1-4-2-5-7-9(11(17)16-15-10(7)13)14-8(5)6(12)3-4/h2-3,14H,1H3,(H,16,17)
InChIKeyLIANXEFKQNTRRY-UHFFFAOYSA-N
XLogP3.13
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one?
The IUPAC name of 6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one (CID 165344986) is 6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one?
The canonical SMILES for 6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one is Cc1cc(Br)c2[nH]c3c(=O)[nH]nc(Cl)c3c2c1.
What is the InChIKey of 6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one?
The InChIKey is LIANXEFKQNTRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O/c1-4-2-5-7-9(11(17)16-15-10(7)13)14-8(5)6(12)3-4/h2-3,14H,1H3,(H,16,17).
What are the key properties of 6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one?
6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one has a molecular weight of 312.55 g/mol, XLogP of 3.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 165344986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).