1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole

C15H13BrN2O — CID 104811345

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole
SMILESCOc1cccc2c1ccn2Cc1cncc(Br)c1
InChIInChI=1S/C15H13BrN2O/c1-19-15-4-2-3-14-13(15)5-6-18(14)10-11-7-12(16)9-17-8-11/h2-9H,10H2,1H3
InChIKeyBLYRMHXXEFXABI-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.86
Rot. Bonds3

About 1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole

1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole (PubChem CID 104811345) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole
PubChem CID104811345
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole
SMILESCOc1cccc2c1ccn2Cc1cncc(Br)c1
InChIInChI=1S/C15H13BrN2O/c1-19-15-4-2-3-14-13(15)5-6-18(14)10-11-7-12(16)9-17-8-11/h2-9H,10H2,1H3
InChIKeyBLYRMHXXEFXABI-UHFFFAOYSA-N
XLogP3.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine
CID 104801167
1-[(3-bromo-4-methoxyphenyl)methyl]-4-methoxyindole
CID 83165932
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine
CID 104801171
3-[(4-methoxyindol-1-yl)methyl]phenol
CID 83173528
1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
CID 102879190
1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole
CID 83165323
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol
CID 104801826
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine
CID 104801202
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole
CID 114084739

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole (CID 104811345) is 1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole is COc1cccc2c1ccn2Cc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole?
The InChIKey is BLYRMHXXEFXABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-19-15-4-2-3-14-13(15)5-6-18(14)10-11-7-12(16)9-17-8-11/h2-9H,10H2,1H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole?
1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole has a molecular weight of 317.19 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole is sourced from PubChem (CID 104811345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).