3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol

C17H13BrN2O — CID 164522928

IUPAC3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(Cc3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C17H13BrN2O/c18-12-1-3-16-14(6-12)10(8-19-16)5-11-9-20-17-4-2-13(21)7-15(11)17/h1-4,6-9,19-21H,5H2
InChIKeyUXKHGINXKFBUIA-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.71
Rot. Bonds2

About 3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol

3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol (PubChem CID 164522928) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
PubChem CID164522928
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(Cc3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C17H13BrN2O/c18-12-1-3-16-14(6-12)10(8-19-16)5-11-9-20-17-4-2-13(21)7-15(11)17/h1-4,6-9,19-21H,5H2
InChIKeyUXKHGINXKFBUIA-UHFFFAOYSA-N
XLogP4.71
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
3-propyl-1H-indol-5-ol
CID 15366338
3-prop-2-enyl-1H-indol-5-ol
CID 24746176
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
3-[(5-bromo-1H-indol-3-yl)methyl]-2-methylquinoline
CID 101469679
3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol
CID 167475275
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
2-(5-bromo-1H-indol-3-yl)acetaldehyde
CID 20623493
3-(2-iminoethyl)-1H-indol-5-ol
CID 54393064
3-fluoro-1H-indol-5-ol
CID 105429509

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol?
The IUPAC name of 3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol (CID 164522928) is 3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol?
The canonical SMILES for 3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(Cc3c[nH]c4ccc(Br)cc34)c2c1.
What is the InChIKey of 3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol?
The InChIKey is UXKHGINXKFBUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-12-1-3-16-14(6-12)10(8-19-16)5-11-9-20-17-4-2-13(21)7-15(11)17/h1-4,6-9,19-21H,5H2.
What are the key properties of 3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol?
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol has a molecular weight of 341.21 g/mol, XLogP of 4.71, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol is sourced from PubChem (CID 164522928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).