1-(4-nitrophenyl)pyrido[2,3-b]indole

C17H11N3O2 — CID 67500864

IUPAC1-(4-nitrophenyl)pyrido[2,3-b]indole
SMILESO=[N+]([O-])c1ccc(-n2cccc3c4ccccc4nc2-3)cc1
InChIInChI=1S/C17H11N3O2/c21-20(22)13-9-7-12(8-10-13)19-11-3-5-15-14-4-1-2-6-16(14)18-17(15)19/h1-11H
InChIKeyYJOWOTCQYFCHKV-UHFFFAOYSA-N
MW289.29 g/mol
LogP4.04
Rot. Bonds2

About 1-(4-nitrophenyl)pyrido[2,3-b]indole

1-(4-nitrophenyl)pyrido[2,3-b]indole (PubChem CID 67500864) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(4-nitrophenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name1-(4-nitrophenyl)pyrido[2,3-b]indole
PubChem CID67500864
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name1-(4-nitrophenyl)pyrido[2,3-b]indole
SMILESO=[N+]([O-])c1ccc(-n2cccc3c4ccccc4nc2-3)cc1
InChIInChI=1S/C17H11N3O2/c21-20(22)13-9-7-12(8-10-13)19-11-3-5-15-14-4-1-2-6-16(14)18-17(15)19/h1-11H
InChIKeyYJOWOTCQYFCHKV-UHFFFAOYSA-N
XLogP4.04
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(4-nitrophenyl)pyrido[2,3-b]indole?
The IUPAC name of 1-(4-nitrophenyl)pyrido[2,3-b]indole (CID 67500864) is 1-(4-nitrophenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 1-(4-nitrophenyl)pyrido[2,3-b]indole?
The canonical SMILES for 1-(4-nitrophenyl)pyrido[2,3-b]indole is O=[N+]([O-])c1ccc(-n2cccc3c4ccccc4nc2-3)cc1.
What is the InChIKey of 1-(4-nitrophenyl)pyrido[2,3-b]indole?
The InChIKey is YJOWOTCQYFCHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-20(22)13-9-7-12(8-10-13)19-11-3-5-15-14-4-1-2-6-16(14)18-17(15)19/h1-11H.
What are the key properties of 1-(4-nitrophenyl)pyrido[2,3-b]indole?
1-(4-nitrophenyl)pyrido[2,3-b]indole has a molecular weight of 289.29 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 67500864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).