3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole

C17H17ClN2O — CID 155925306

IUPAC3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole
SMILESCCCOn1cc(Cc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C17H17ClN2O/c1-2-9-21-20-12-14(15-5-3-4-6-17(15)20)10-13-7-8-19-11-16(13)18/h3-8,11-12H,2,9-10H2,1H3
InChIKeyIXJUVISPFIGEMG-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.12
Rot. Bonds5

About 3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole

3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole (PubChem CID 155925306) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole
PubChem CID155925306
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole
SMILESCCCOn1cc(Cc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C17H17ClN2O/c1-2-9-21-20-12-14(15-5-3-4-6-17(15)20)10-13-7-8-19-11-16(13)18/h3-8,11-12H,2,9-10H2,1H3
InChIKeyIXJUVISPFIGEMG-UHFFFAOYSA-N
XLogP4.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole (CID 155925306) is 3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole is CCCOn1cc(Cc2ccncc2Cl)c2ccccc21.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole?
The InChIKey is IXJUVISPFIGEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-2-9-21-20-12-14(15-5-3-4-6-17(15)20)10-13-7-8-19-11-16(13)18/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole?
3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole has a molecular weight of 300.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)methyl]-1-propoxyindole is sourced from PubChem (CID 155925306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).