1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole

C17H17BrN2O — CID 116625540

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2Cc2ccc(Br)cn2)c1
InChIInChI=1S/C17H17BrN2O/c1-2-9-21-16-5-6-17-13(10-16)7-8-20(17)12-15-4-3-14(18)11-19-15/h3-8,10-11H,2,9,12H2,1H3
InChIKeyVKWDWQRANLYPLC-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.64
Rot. Bonds5

About 1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole

1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole (PubChem CID 116625540) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole
PubChem CID116625540
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2Cc2ccc(Br)cn2)c1
InChIInChI=1S/C17H17BrN2O/c1-2-9-21-16-5-6-17-13(10-16)7-8-20(17)12-15-4-3-14(18)11-19-15/h3-8,10-11H,2,9,12H2,1H3
InChIKeyVKWDWQRANLYPLC-UHFFFAOYSA-N
XLogP4.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole
CID 102879254
5-propoxy-1-(thiophen-2-ylmethyl)indole
CID 116625667
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole
CID 116625614
3-[(5-propoxyindol-1-yl)methyl]aniline
CID 80648798
1-[(3-fluorophenyl)methyl]-5-propoxyindole
CID 116625580
1-(2-methylbutyl)-5-propoxyindole
CID 116625570
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917767

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole (CID 116625540) is 1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole is CCCOc1ccc2c(ccn2Cc2ccc(Br)cn2)c1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole?
The InChIKey is VKWDWQRANLYPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-2-9-21-16-5-6-17-13(10-16)7-8-20(17)12-15-4-3-14(18)11-19-15/h3-8,10-11H,2,9,12H2,1H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole?
1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole has a molecular weight of 345.24 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole is sourced from PubChem (CID 116625540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).