2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde

C16H14N2O3 — CID 87883205

IUPAC2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde
SMILESCOc1cnc2[nH]c(-c3ccc(C=O)c(OC)c3)cc2c1
InChIInChI=1S/C16H14N2O3/c1-20-13-5-12-6-14(18-16(12)17-8-13)10-3-4-11(9-19)15(7-10)21-2/h3-9H,1-2H3,(H,17,18)
InChIKeyAEWRRIBIIWSRIU-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.06
Rot. Bonds4

About 2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde

2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde (PubChem CID 87883205) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde
PubChem CID87883205
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde
SMILESCOc1cnc2[nH]c(-c3ccc(C=O)c(OC)c3)cc2c1
InChIInChI=1S/C16H14N2O3/c1-20-13-5-12-6-14(18-16(12)17-8-13)10-3-4-11(9-19)15(7-10)21-2/h3-9H,1-2H3,(H,17,18)
InChIKeyAEWRRIBIIWSRIU-UHFFFAOYSA-N
XLogP3.06
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
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-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde?
The IUPAC name of 2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde (CID 87883205) is 2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde is COc1cnc2[nH]c(-c3ccc(C=O)c(OC)c3)cc2c1.
What is the InChIKey of 2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde?
The InChIKey is AEWRRIBIIWSRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-5-12-6-14(18-16(12)17-8-13)10-3-4-11(9-19)15(7-10)21-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde?
2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde has a molecular weight of 282.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)benzaldehyde is sourced from PubChem (CID 87883205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).