6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione

C10H4ClN3O2 — CID 19030664

IUPAC6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione
SMILESO=C1N=NC(=O)c2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C10H4ClN3O2/c11-5-3-1-2-4-6-8(12-7(4)5)10(16)14-13-9(6)15/h1-3,12H
InChIKeyQADVBGPKULGVAV-UHFFFAOYSA-N
MW233.61 g/mol
LogP2.57
Rot. Bonds

About 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione

6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione (PubChem CID 19030664) has the molecular formula C10H4ClN3O2 and a molecular weight of 233.61 g/mol. Its IUPAC name is 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione.

Molecular Properties

Compound Name6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione
PubChem CID19030664
Molecular FormulaC10H4ClN3O2
Molecular Weight233.61 g/mol
Exact Mass233.00
IUPAC Name6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione
SMILESO=C1N=NC(=O)c2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C10H4ClN3O2/c11-5-3-1-2-4-6-8(12-7(4)5)10(16)14-13-9(6)15/h1-3,12H
InChIKeyQADVBGPKULGVAV-UHFFFAOYSA-N
XLogP2.57
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.61
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 3721490
5,8-dichloro-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
CID 665194
1H-Pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-6-chloro-
CID 197964
4-chloranyl-5~{H}-cyclohepta[b]indol-10-one
CID 145704692
(7-chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 9878733
8-Chloro-1,2,3,9-tetrahydro-4H-carbazol-4-one
CID 12375583
6-Chloro-4-oxo-1,2,3,4-tetrahydrocarbazole
CID 335703
6-chloro-3-methyl-9H-carbazole-1,4-dione
CID 14831886
2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
CID 25107783
N,N-dibutyl-2-(7-chloro-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
CID 25107849
N-benzyl-2-(7-chloro-2-phenyl-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
CID 25107916
2-(7-chloro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
CID 25108158

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione?
The IUPAC name of 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione (CID 19030664) is 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione.
What is the SMILES notation for 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione?
The canonical SMILES for 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione is O=C1N=NC(=O)c2c1[nH]c1c(Cl)cccc21.
What is the InChIKey of 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione?
The InChIKey is QADVBGPKULGVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClN3O2/c11-5-3-1-2-4-6-8(12-7(4)5)10(16)14-13-9(6)15/h1-3,12H.
What are the key properties of 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione?
6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione has a molecular weight of 233.61 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5H-pyridazino[4,5-b]indole-1,4-dione is sourced from PubChem (CID 19030664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).