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

C10H6ClN3 — CID 82396781

IUPAC1-chloro-5H-pyridazino[4,5-b]indole
SMILESClc1nncc2[nH]c3ccccc3c12
InChIInChI=1S/C10H6ClN3/c11-10-9-6-3-1-2-4-7(6)13-8(9)5-12-14-10/h1-5,13H
InChIKeyILBAFPXWULGUCT-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.76
Rot. Bonds

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

1-chloro-5H-pyridazino[4,5-b]indole (PubChem CID 82396781) has the molecular formula C10H6ClN3 and a molecular weight of 203.63 g/mol. Its IUPAC name is 1-chloro-5H-pyridazino[4,5-b]indole.

Molecular Properties

Compound Name1-chloro-5H-pyridazino[4,5-b]indole
PubChem CID82396781
Molecular FormulaC10H6ClN3
Molecular Weight203.63 g/mol
Exact Mass203.03
IUPAC Name1-chloro-5H-pyridazino[4,5-b]indole
SMILESClc1nncc2[nH]c3ccccc3c12
InChIInChI=1S/C10H6ClN3/c11-10-9-6-3-1-2-4-7(6)13-8(9)5-12-14-10/h1-5,13H
InChIKeyILBAFPXWULGUCT-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-pyrazol-5-yl)-5H-pyridazino[4,5-b]indole
CID 140617726
9H-carbazole
CID 66668984
15-chloro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 4713453
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
6H-azepino[4,3-b]indol-1-one
CID 150838998
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 151112967
4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole
CID 118934591
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
5-methyl-7H-pyrido[2,3-c]carbazole
CID 10331503
5H-pyridazino[4,3-b]quinolin-10-one
CID 10987203

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5H-pyridazino[4,5-b]indole?
The IUPAC name of 1-chloro-5H-pyridazino[4,5-b]indole (CID 82396781) is 1-chloro-5H-pyridazino[4,5-b]indole.
What is the SMILES notation for 1-chloro-5H-pyridazino[4,5-b]indole?
The canonical SMILES for 1-chloro-5H-pyridazino[4,5-b]indole is Clc1nncc2[nH]c3ccccc3c12.
What is the InChIKey of 1-chloro-5H-pyridazino[4,5-b]indole?
The InChIKey is ILBAFPXWULGUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3/c11-10-9-6-3-1-2-4-7(6)13-8(9)5-12-14-10/h1-5,13H.
What are the key properties of 1-chloro-5H-pyridazino[4,5-b]indole?
1-chloro-5H-pyridazino[4,5-b]indole has a molecular weight of 203.63 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5H-pyridazino[4,5-b]indole is sourced from PubChem (CID 82396781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).