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

C11H5ClFN3O2 — CID 67165969

IUPAC6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole
SMILESO=[N+]([O-])c1cc(Cl)cc2c1[nH]c1cncc(F)c12
InChIInChI=1S/C11H5ClFN3O2/c12-5-1-6-10-7(13)3-14-4-8(10)15-11(6)9(2-5)16(17)18/h1-4,15H
InChIKeyGXEDMZQPADTRGS-UHFFFAOYSA-N
MW265.63 g/mol
LogP3.42
Rot. Bonds1

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

6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole (PubChem CID 67165969) has the molecular formula C11H5ClFN3O2 and a molecular weight of 265.63 g/mol. Its IUPAC name is 6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole
PubChem CID67165969
Molecular FormulaC11H5ClFN3O2
Molecular Weight265.63 g/mol
Exact Mass265.01
IUPAC Name6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole
SMILESO=[N+]([O-])c1cc(Cl)cc2c1[nH]c1cncc(F)c12
InChIInChI=1S/C11H5ClFN3O2/c12-5-1-6-10-7(13)3-14-4-8(10)15-11(6)9(2-5)16(17)18/h1-4,15H
InChIKeyGXEDMZQPADTRGS-UHFFFAOYSA-N
XLogP3.42
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.63
LogP ≤ 53.42
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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Related Compounds

2,5-dichloro-7-nitro-1H-indole-3-carbaldehyde
CID 3538847
16-chloro-5-nitro-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 14146970
5-chloro-7-nitro-3-sulfo-1H-indole-2-carboxylic acid
CID 163712535
3-chloro-5-fluoro-4-nitropyridine
CID 131211572
4-chloro-2,6-dinitrophenolate
CID 36690453
1,6-dichloro-4-nitro-10H-acridin-9-one
CID 154120208
7-bromo-1-chloro-4-fluoro-5-nitroisoquinoline
CID 170903705
5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
CID 166547715
5-chloro-7-nitro-1H-indole-2-carboxylic acid
CID 59542969
2-(4-chloro-2-fluoro-6-nitrophenoxy)propanoic acid
CID 134497457
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340
4-chloro-2-nitro-1-phenyl-9H-carbazole
CID 150980162

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole (CID 67165969) is 6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole is O=[N+]([O-])c1cc(Cl)cc2c1[nH]c1cncc(F)c12.
What is the InChIKey of 6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole?
The InChIKey is GXEDMZQPADTRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClFN3O2/c12-5-1-6-10-7(13)3-14-4-8(10)15-11(6)9(2-5)16(17)18/h1-4,15H.
What are the key properties of 6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole?
6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole has a molecular weight of 265.63 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 67165969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).