2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole

C18H13BrN2 — CID 175872363

IUPAC2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole
SMILESBrc1ccccc1Cc1ccc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C18H13BrN2/c19-16-7-3-1-5-12(16)11-13-9-10-15-14-6-2-4-8-17(14)21-18(15)20-13/h1-10H,11H2,(H,20,21)
InChIKeyCBKALTAXGSYANU-UHFFFAOYSA-N
MW337.22 g/mol
LogP5.07
Rot. Bonds2

About 2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole

2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole (PubChem CID 175872363) has the molecular formula C18H13BrN2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole
PubChem CID175872363
Molecular FormulaC18H13BrN2
Molecular Weight337.22 g/mol
Exact Mass336.03
IUPAC Name2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole
SMILESBrc1ccccc1Cc1ccc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C18H13BrN2/c19-16-7-3-1-5-12(16)11-13-9-10-15-14-6-2-4-8-17(14)21-18(15)20-13/h1-10H,11H2,(H,20,21)
InChIKeyCBKALTAXGSYANU-UHFFFAOYSA-N
XLogP5.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.22
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole?
The IUPAC name of 2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole (CID 175872363) is 2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole is Brc1ccccc1Cc1ccc2c(n1)[nH]c1ccccc12.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole?
The InChIKey is CBKALTAXGSYANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2/c19-16-7-3-1-5-12(16)11-13-9-10-15-14-6-2-4-8-17(14)21-18(15)20-13/h1-10H,11H2,(H,20,21).
What are the key properties of 2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole?
2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole has a molecular weight of 337.22 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 175872363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).