1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde

C16H14N2O — CID 102910182

IUPAC1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde
SMILESO=Cc1cccc2ccn(CCc3cccnc3)c12
InChIInChI=1S/C16H14N2O/c19-12-15-5-1-4-14-7-10-18(16(14)15)9-6-13-3-2-8-17-11-13/h1-5,7-8,10-12H,6,9H2
InChIKeyPWHPIRJSZUMIQO-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde

1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde (PubChem CID 102910182) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde.

Molecular Properties

Compound Name1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde
PubChem CID102910182
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde
SMILESO=Cc1cccc2ccn(CCc3cccnc3)c12
InChIInChI=1S/C16H14N2O/c19-12-15-5-1-4-14-7-10-18(16(14)15)9-6-13-3-2-8-17-11-13/h1-5,7-8,10-12H,6,9H2
InChIKeyPWHPIRJSZUMIQO-UHFFFAOYSA-N
XLogP3.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-methylpyrazol-4-yl)ethyl]indole-7-carbaldehyde
CID 103005409
1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde
CID 102909917
3-(2-pyridin-3-ylethyl)imidazole-4-carbaldehyde
CID 66148661
4-fluoro-1-(2-pyridin-3-ylethyl)indole
CID 82794108
1-(2-pyridin-3-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403614
ethyl 6-(7-formylindol-1-yl)hexanoate
CID 102910186
1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde
CID 102909906
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910167
1-[2-(azepan-1-yl)-2-oxoethyl]indole-7-carbaldehyde
CID 102910109
1-[(3-bromothiophen-2-yl)methyl]indole-7-carbaldehyde
CID 102910068
N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
CID 66400952
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde?
The IUPAC name of 1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde (CID 102910182) is 1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde.
What is the SMILES notation for 1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde?
The canonical SMILES for 1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde is O=Cc1cccc2ccn(CCc3cccnc3)c12.
What is the InChIKey of 1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde?
The InChIKey is PWHPIRJSZUMIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-12-15-5-1-4-14-7-10-18(16(14)15)9-6-13-3-2-8-17-11-13/h1-5,7-8,10-12H,6,9H2.
What are the key properties of 1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde?
1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde is sourced from PubChem (CID 102910182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).