3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole

C17H16Cl2N2O — CID 155925426

IUPAC3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole
SMILESCCCOn1cc(Cc2c(Cl)cncc2Cl)c2ccccc21
InChIInChI=1S/C17H16Cl2N2O/c1-2-7-22-21-11-12(13-5-3-4-6-17(13)21)8-14-15(18)9-20-10-16(14)19/h3-6,9-11H,2,7-8H2,1H3
InChIKeyAPVNHALCLXFDLG-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.77
Rot. Bonds5

About 3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole

3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole (PubChem CID 155925426) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole.

Molecular Properties

Compound Name3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole
PubChem CID155925426
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole
SMILESCCCOn1cc(Cc2c(Cl)cncc2Cl)c2ccccc21
InChIInChI=1S/C17H16Cl2N2O/c1-2-7-22-21-11-12(13-5-3-4-6-17(13)21)8-14-15(18)9-20-10-16(14)19/h3-6,9-11H,2,7-8H2,1H3
InChIKeyAPVNHALCLXFDLG-UHFFFAOYSA-N
XLogP4.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole?
The IUPAC name of 3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole (CID 155925426) is 3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole.
What is the SMILES notation for 3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole?
The canonical SMILES for 3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole is CCCOn1cc(Cc2c(Cl)cncc2Cl)c2ccccc21.
What is the InChIKey of 3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole?
The InChIKey is APVNHALCLXFDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c1-2-7-22-21-11-12(13-5-3-4-6-17(13)21)8-14-15(18)9-20-10-16(14)19/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of 3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole?
3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole has a molecular weight of 335.23 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichloro-4-pyridinyl)methyl]-1-propoxyindole is sourced from PubChem (CID 155925426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).