5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde

C14H13NO4 — CID 59784616

IUPAC5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde
SMILESCOc1ccc(-c2ccc(O)c(C=O)c2)c(OC)n1
InChIInChI=1S/C14H13NO4/c1-18-13-6-4-11(14(15-13)19-2)9-3-5-12(17)10(7-9)8-16/h3-8,17H,1-2H3
InChIKeyQYFZPWOESUGLNP-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.28
Rot. Bonds4

About 5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde

5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde (PubChem CID 59784616) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde
PubChem CID59784616
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde
SMILESCOc1ccc(-c2ccc(O)c(C=O)c2)c(OC)n1
InChIInChI=1S/C14H13NO4/c1-18-13-6-4-11(14(15-13)19-2)9-3-5-12(17)10(7-9)8-16/h3-8,17H,1-2H3
InChIKeyQYFZPWOESUGLNP-UHFFFAOYSA-N
XLogP2.28
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde (CID 59784616) is 5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde is COc1ccc(-c2ccc(O)c(C=O)c2)c(OC)n1.
What is the InChIKey of 5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde?
The InChIKey is QYFZPWOESUGLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-13-6-4-11(14(15-13)19-2)9-3-5-12(17)10(7-9)8-16/h3-8,17H,1-2H3.
What are the key properties of 5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde?
5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde has a molecular weight of 259.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 59784616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).