5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole

C15H13BrN2O — CID 116619644

IUPAC5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
SMILESCOc1cccc(Cn2ccc3cc(Br)ccc32)n1
InChIInChI=1S/C15H13BrN2O/c1-19-15-4-2-3-13(17-15)10-18-8-7-11-9-12(16)5-6-14(11)18/h2-9H,10H2,1H3
InChIKeyAMUKVUGQBNXJPI-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.86
Rot. Bonds3

About 5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole

5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole (PubChem CID 116619644) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
PubChem CID116619644
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
SMILESCOc1cccc(Cn2ccc3cc(Br)ccc32)n1
InChIInChI=1S/C15H13BrN2O/c1-19-15-4-2-3-13(17-15)10-18-8-7-11-9-12(16)5-6-14(11)18/h2-9H,10H2,1H3
InChIKeyAMUKVUGQBNXJPI-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

5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
5-bromo-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 116619663
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole
CID 116619613
7-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116618872
1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902409
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 116619570
5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole
CID 116623121
3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one
CID 115659308
1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile
CID 114652954

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole?
The IUPAC name of 5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole (CID 116619644) is 5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole.
What is the SMILES notation for 5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole?
The canonical SMILES for 5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole is COc1cccc(Cn2ccc3cc(Br)ccc32)n1.
What is the InChIKey of 5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole?
The InChIKey is AMUKVUGQBNXJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-19-15-4-2-3-13(17-15)10-18-8-7-11-9-12(16)5-6-14(11)18/h2-9H,10H2,1H3.
What are the key properties of 5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole?
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole 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 5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole is sourced from PubChem (CID 116619644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).