2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole

C17H10ClN3O2 — CID 87140987

IUPAC2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2[nH]c3nc(Cl)ccc3c2c1
InChIInChI=1S/C17H10ClN3O2/c18-16-8-6-12-13-9-10(5-7-14(13)19-17(12)20-16)11-3-1-2-4-15(11)21(22)23/h1-9H,(H,19,20)
InChIKeyIDGILIKSQWAROV-UHFFFAOYSA-N
MW323.74 g/mol
LogP4.94
Rot. Bonds2

About 2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole

2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole (PubChem CID 87140987) has the molecular formula C17H10ClN3O2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole
PubChem CID87140987
Molecular FormulaC17H10ClN3O2
Molecular Weight323.74 g/mol
Exact Mass323.05
IUPAC Name2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2[nH]c3nc(Cl)ccc3c2c1
InChIInChI=1S/C17H10ClN3O2/c18-16-8-6-12-13-9-10(5-7-14(13)19-17(12)20-16)11-3-1-2-4-15(11)21(22)23/h1-9H,(H,19,20)
InChIKeyIDGILIKSQWAROV-UHFFFAOYSA-N
XLogP4.94
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole?
The IUPAC name of 2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole (CID 87140987) is 2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for 2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole is O=[N+]([O-])c1ccccc1-c1ccc2[nH]c3nc(Cl)ccc3c2c1.
What is the InChIKey of 2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole?
The InChIKey is IDGILIKSQWAROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2/c18-16-8-6-12-13-9-10(5-7-14(13)19-17(12)20-16)11-3-1-2-4-15(11)21(22)23/h1-9H,(H,19,20).
What are the key properties of 2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole?
2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole has a molecular weight of 323.74 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 87140987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).