1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde

C16H14N2O2 — CID 102909917

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde
SMILESCOc1ncccc1Cn1ccc2cccc(C=O)c21
InChIInChI=1S/C16H14N2O2/c1-20-16-13(6-3-8-17-16)10-18-9-7-12-4-2-5-14(11-19)15(12)18/h2-9,11H,10H2,1H3
InChIKeyFQSLVSZGYNVUHF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.91
Rot. Bonds4

About 1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde

1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde (PubChem CID 102909917) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde
PubChem CID102909917
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde
SMILESCOc1ncccc1Cn1ccc2cccc(C=O)c21
InChIInChI=1S/C16H14N2O2/c1-20-16-13(6-3-8-17-16)10-18-9-7-12-4-2-5-14(11-19)15(12)18/h2-9,11H,10H2,1H3
InChIKeyFQSLVSZGYNVUHF-UHFFFAOYSA-N
XLogP2.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine
CID 102913706
1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde
CID 102910182
6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
CID 116620449
1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-7-carbaldehyde
CID 102910161
1-[(2,4,6-trimethylphenyl)methyl]indole-7-carbaldehyde
CID 102909906
1-[(2-methoxy-3-pyridinyl)methyl]indole-6-carbonitrile
CID 107917126
3-bromo-1-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-one
CID 114761443
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-7-carbaldehyde
CID 102909905
1-[2-(1-methylpyrazol-4-yl)ethyl]indole-7-carbaldehyde
CID 103005409
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910167
1-(2-ethylbutyl)indole-7-carbaldehyde
CID 102910011
1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde
CID 102910127

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde (CID 102909917) is 1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde is COc1ncccc1Cn1ccc2cccc(C=O)c21.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde?
The InChIKey is FQSLVSZGYNVUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16-13(6-3-8-17-16)10-18-9-7-12-4-2-5-14(11-19)15(12)18/h2-9,11H,10H2,1H3.
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde?
1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde has a molecular weight of 266.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methyl]indole-7-carbaldehyde is sourced from PubChem (CID 102909917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).