6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal

C20H22N2O — CID 13362113

IUPAC6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal
SMILESCc1c(-c2cccnc2)n(CCCCCC=O)c2ccccc12
InChIInChI=1S/C20H22N2O/c1-16-18-10-4-5-11-19(18)22(13-6-2-3-7-14-23)20(16)17-9-8-12-21-15-17/h4-5,8-12,14-15H,2-3,6-7,13H2,1H3
InChIKeyBKOWZZRWBYLGKS-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.77
Rot. Bonds7

About 6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal

6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal (PubChem CID 13362113) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal.

Molecular Properties

Compound Name6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal
PubChem CID13362113
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal
SMILESCc1c(-c2cccnc2)n(CCCCCC=O)c2ccccc12
InChIInChI=1S/C20H22N2O/c1-16-18-10-4-5-11-19(18)22(13-6-2-3-7-14-23)20(16)17-9-8-12-21-15-17/h4-5,8-12,14-15H,2-3,6-7,13H2,1H3
InChIKeyBKOWZZRWBYLGKS-UHFFFAOYSA-N
XLogP4.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal?
The IUPAC name of 6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal (CID 13362113) is 6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal.
What is the SMILES notation for 6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal?
The canonical SMILES for 6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal is Cc1c(-c2cccnc2)n(CCCCCC=O)c2ccccc12.
What is the InChIKey of 6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal?
The InChIKey is BKOWZZRWBYLGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-16-18-10-4-5-11-19(18)22(13-6-2-3-7-14-23)20(16)17-9-8-12-21-15-17/h4-5,8-12,14-15H,2-3,6-7,13H2,1H3.
What are the key properties of 6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal?
6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal has a molecular weight of 306.41 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2-pyridin-3-ylindol-1-yl)hexanal is sourced from PubChem (CID 13362113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).