6-chloro-8-nitro-9H-pyrido[3,4-b]indole

C11H6ClN3O2 — CID 11164332

IUPAC6-chloro-8-nitro-9H-pyrido[3,4-b]indole
SMILESO=[N+]([O-])c1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C11H6ClN3O2/c12-6-3-8-7-1-2-13-5-9(7)14-11(8)10(4-6)15(16)17/h1-5,14H
InChIKeyOIVJKYMIBKPOHU-UHFFFAOYSA-N
MW247.64 g/mol
LogP3.28
Rot. Bonds1

About 6-chloro-8-nitro-9H-pyrido[3,4-b]indole

6-chloro-8-nitro-9H-pyrido[3,4-b]indole (PubChem CID 11164332) has the molecular formula C11H6ClN3O2 and a molecular weight of 247.64 g/mol. Its IUPAC name is 6-chloro-8-nitro-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-8-nitro-9H-pyrido[3,4-b]indole
PubChem CID11164332
Molecular FormulaC11H6ClN3O2
Molecular Weight247.64 g/mol
Exact Mass247.01
IUPAC Name6-chloro-8-nitro-9H-pyrido[3,4-b]indole
SMILESO=[N+]([O-])c1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C11H6ClN3O2/c12-6-3-8-7-1-2-13-5-9(7)14-11(8)10(4-6)15(16)17/h1-5,14H
InChIKeyOIVJKYMIBKPOHU-UHFFFAOYSA-N
XLogP3.28
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-nitro-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-8-nitro-9H-pyrido[3,4-b]indole (CID 11164332) is 6-chloro-8-nitro-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-8-nitro-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-8-nitro-9H-pyrido[3,4-b]indole is O=[N+]([O-])c1cc(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of 6-chloro-8-nitro-9H-pyrido[3,4-b]indole?
The InChIKey is OIVJKYMIBKPOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2/c12-6-3-8-7-1-2-13-5-9(7)14-11(8)10(4-6)15(16)17/h1-5,14H.
What are the key properties of 6-chloro-8-nitro-9H-pyrido[3,4-b]indole?
6-chloro-8-nitro-9H-pyrido[3,4-b]indole has a molecular weight of 247.64 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-nitro-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 11164332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).