5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde

C16H17NO5 — CID 150908364

IUPAC5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde
SMILESCOc1cc(OC)c(-c2cc(C=O)c(OC)cc2OC)cn1
InChIInChI=1S/C16H17NO5/c1-19-13-6-14(20-2)11(5-10(13)9-18)12-8-17-16(22-4)7-15(12)21-3/h5-9H,1-4H3
InChIKeyLBLSOPNFMWJRLY-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.60
Rot. Bonds6

About 5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde

5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde (PubChem CID 150908364) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde.

Molecular Properties

Compound Name5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde
PubChem CID150908364
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde
SMILESCOc1cc(OC)c(-c2cc(C=O)c(OC)cc2OC)cn1
InChIInChI=1S/C16H17NO5/c1-19-13-6-14(20-2)11(5-10(13)9-18)12-8-17-16(22-4)7-15(12)21-3/h5-9H,1-4H3
InChIKeyLBLSOPNFMWJRLY-UHFFFAOYSA-N
XLogP2.60
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde?
The IUPAC name of 5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde (CID 150908364) is 5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde.
What is the SMILES notation for 5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde?
The canonical SMILES for 5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde is COc1cc(OC)c(-c2cc(C=O)c(OC)cc2OC)cn1.
What is the InChIKey of 5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde?
The InChIKey is LBLSOPNFMWJRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-19-13-6-14(20-2)11(5-10(13)9-18)12-8-17-16(22-4)7-15(12)21-3/h5-9H,1-4H3.
What are the key properties of 5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde?
5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde has a molecular weight of 303.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde is sourced from PubChem (CID 150908364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).