2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde

C16H14N2O3 — CID 71621614

IUPAC2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCc2cccn3cncc23)c1
InChIInChI=1S/C16H14N2O3/c1-20-14-5-4-12(9-19)16(7-14)21-10-13-3-2-6-18-11-17-8-15(13)18/h2-9,11H,10H2,1H3
InChIKeyOBVSYIPVNMKXQV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.73
Rot. Bonds5

About 2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde

2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde (PubChem CID 71621614) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde
PubChem CID71621614
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCc2cccn3cncc23)c1
InChIInChI=1S/C16H14N2O3/c1-20-14-5-4-12(9-19)16(7-14)21-10-13-3-2-6-18-11-17-8-15(13)18/h2-9,11H,10H2,1H3
InChIKeyOBVSYIPVNMKXQV-UHFFFAOYSA-N
XLogP2.73
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
CID 66153443
2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
CID 115886848
2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde
CID 60753223
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2-(2-chloroprop-2-enoxy)-4-methoxybenzaldehyde
CID 60746518
2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 66141723
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 66154912
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde
CID 61230234
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde?
The IUPAC name of 2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde (CID 71621614) is 2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde.
What is the SMILES notation for 2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde?
The canonical SMILES for 2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde is COc1ccc(C=O)c(OCc2cccn3cncc23)c1.
What is the InChIKey of 2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde?
The InChIKey is OBVSYIPVNMKXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-14-5-4-12(9-19)16(7-14)21-10-13-3-2-6-18-11-17-8-15(13)18/h2-9,11H,10H2,1H3.
What are the key properties of 2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde?
2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde has a molecular weight of 282.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde is sourced from PubChem (CID 71621614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).