2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde

C17H15NO3 — CID 152794589

IUPAC2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde
SMILESCOc1ccc(OCc2ccnc3c2C=CC3)c(C=O)c1
InChIInChI=1S/C17H15NO3/c1-20-14-5-6-17(13(9-14)10-19)21-11-12-7-8-18-16-4-2-3-15(12)16/h2-3,5-10H,4,11H2,1H3
InChIKeySLBKGNMUJCDTJR-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.05
Rot. Bonds5

About 2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde

2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde (PubChem CID 152794589) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde
PubChem CID152794589
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde
SMILESCOc1ccc(OCc2ccnc3c2C=CC3)c(C=O)c1
InChIInChI=1S/C17H15NO3/c1-20-14-5-6-17(13(9-14)10-19)21-11-12-7-8-18-16-4-2-3-15(12)16/h2-3,5-10H,4,11H2,1H3
InChIKeySLBKGNMUJCDTJR-UHFFFAOYSA-N
XLogP3.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde?
The IUPAC name of 2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde (CID 152794589) is 2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde?
The canonical SMILES for 2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde is COc1ccc(OCc2ccnc3c2C=CC3)c(C=O)c1.
What is the InChIKey of 2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde?
The InChIKey is SLBKGNMUJCDTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-14-5-6-17(13(9-14)10-19)21-11-12-7-8-18-16-4-2-3-15(12)16/h2-3,5-10H,4,11H2,1H3.
What are the key properties of 2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde?
2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde has a molecular weight of 281.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-cyclopenta[b]pyridin-4-ylmethoxy)-5-methoxybenzaldehyde is sourced from PubChem (CID 152794589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).