9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole

C18H13IN2 — CID 134214427

IUPAC9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole
SMILESCc1ccc2c(c1)c1cc(-c3ccccc3)cnc1n2I
InChIInChI=1S/C18H13IN2/c1-12-7-8-17-15(9-12)16-10-14(11-20-18(16)21(17)19)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyLRAMXKPEZJJUQR-UHFFFAOYSA-N
MW384.22 g/mol
LogP5.36
Rot. Bonds1

About 9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole

9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole (PubChem CID 134214427) has the molecular formula C18H13IN2 and a molecular weight of 384.22 g/mol. Its IUPAC name is 9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole
PubChem CID134214427
Molecular FormulaC18H13IN2
Molecular Weight384.22 g/mol
Exact Mass384.01
IUPAC Name9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole
SMILESCc1ccc2c(c1)c1cc(-c3ccccc3)cnc1n2I
InChIInChI=1S/C18H13IN2/c1-12-7-8-17-15(9-12)16-10-14(11-20-18(16)21(17)19)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyLRAMXKPEZJJUQR-UHFFFAOYSA-N
XLogP5.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole?
The IUPAC name of 9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole (CID 134214427) is 9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole?
The canonical SMILES for 9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole is Cc1ccc2c(c1)c1cc(-c3ccccc3)cnc1n2I.
What is the InChIKey of 9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole?
The InChIKey is LRAMXKPEZJJUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13IN2/c1-12-7-8-17-15(9-12)16-10-14(11-20-18(16)21(17)19)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole?
9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole has a molecular weight of 384.22 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 134214427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).