3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid

C19H15BrN2O2 — CID 15949128

IUPAC3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(CCc3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C19H15BrN2O2/c20-14-4-6-18-16(8-14)13(10-22-18)2-1-12-9-21-17-5-3-11(19(23)24)7-15(12)17/h3-10,21-22H,1-2H2,(H,23,24)
InChIKeyMFCUJLJDJCTIDQ-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.90
Rot. Bonds4

About 3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid

3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid (PubChem CID 15949128) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid
PubChem CID15949128
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(CCc3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C19H15BrN2O2/c20-14-4-6-18-16(8-14)13(10-22-18)2-1-12-9-21-17-5-3-11(19(23)24)7-15(12)17/h3-10,21-22H,1-2H2,(H,23,24)
InChIKeyMFCUJLJDJCTIDQ-UHFFFAOYSA-N
XLogP4.90
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid?
The IUPAC name of 3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid (CID 15949128) is 3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]cc(CCc3c[nH]c4ccc(Br)cc34)c2c1.
What is the InChIKey of 3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid?
The InChIKey is MFCUJLJDJCTIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c20-14-4-6-18-16(8-14)13(10-22-18)2-1-12-9-21-17-5-3-11(19(23)24)7-15(12)17/h3-10,21-22H,1-2H2,(H,23,24).
What are the key properties of 3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid?
3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid has a molecular weight of 383.25 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 15949128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).