2-chloro-3-phenyl-9H-pyrido[2,3-b]indole

C17H11ClN2 — CID 15424157

IUPAC2-chloro-3-phenyl-9H-pyrido[2,3-b]indole
SMILESClc1nc2[nH]c3ccccc3c2cc1-c1ccccc1
InChIInChI=1S/C17H11ClN2/c18-16-13(11-6-2-1-3-7-11)10-14-12-8-4-5-9-15(12)19-17(14)20-16/h1-10H,(H,19,20)
InChIKeyBWFQTOUMAQKKDI-UHFFFAOYSA-N
MW278.74 g/mol
LogP5.04
Rot. Bonds1

About 2-chloro-3-phenyl-9H-pyrido[2,3-b]indole

2-chloro-3-phenyl-9H-pyrido[2,3-b]indole (PubChem CID 15424157) has the molecular formula C17H11ClN2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-3-phenyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name2-chloro-3-phenyl-9H-pyrido[2,3-b]indole
PubChem CID15424157
Molecular FormulaC17H11ClN2
Molecular Weight278.74 g/mol
Exact Mass278.06
IUPAC Name2-chloro-3-phenyl-9H-pyrido[2,3-b]indole
SMILESClc1nc2[nH]c3ccccc3c2cc1-c1ccccc1
InChIInChI=1S/C17H11ClN2/c18-16-13(11-6-2-1-3-7-11)10-14-12-8-4-5-9-15(12)19-17(14)20-16/h1-10H,(H,19,20)
InChIKeyBWFQTOUMAQKKDI-UHFFFAOYSA-N
XLogP5.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.74
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-phenyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 2-chloro-3-phenyl-9H-pyrido[2,3-b]indole (CID 15424157) is 2-chloro-3-phenyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 2-chloro-3-phenyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 2-chloro-3-phenyl-9H-pyrido[2,3-b]indole is Clc1nc2[nH]c3ccccc3c2cc1-c1ccccc1.
What is the InChIKey of 2-chloro-3-phenyl-9H-pyrido[2,3-b]indole?
The InChIKey is BWFQTOUMAQKKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2/c18-16-13(11-6-2-1-3-7-11)10-14-12-8-4-5-9-15(12)19-17(14)20-16/h1-10H,(H,19,20).
What are the key properties of 2-chloro-3-phenyl-9H-pyrido[2,3-b]indole?
2-chloro-3-phenyl-9H-pyrido[2,3-b]indole has a molecular weight of 278.74 g/mol, XLogP of 5.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-phenyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 15424157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).