2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid

C14H13NO5 — CID 175442040

IUPAC2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid
SMILESCOc1cccc(C=O)c1O.O=C(O)c1cccnc1
InChIInChI=1S/C8H8O3.C6H5NO2/c1-11-7-4-2-3-6(5-9)8(7)10;8-6(9)5-2-1-3-7-4-5/h2-5,10H,1H3;1-4H,(H,8,9)
InChIKeyXJUYKZYOVPHJRV-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.99
Rot. Bonds3

About 2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid

2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid (PubChem CID 175442040) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid
PubChem CID175442040
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid
SMILESCOc1cccc(C=O)c1O.O=C(O)c1cccnc1
InChIInChI=1S/C8H8O3.C6H5NO2/c1-11-7-4-2-3-6(5-9)8(7)10;8-6(9)5-2-1-3-7-4-5/h2-5,10H,1H3;1-4H,(H,8,9)
InChIKeyXJUYKZYOVPHJRV-UHFFFAOYSA-N
XLogP1.99
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-hydroxybenzaldehyde;pyridine-3-carboxylic acid
CID 158573582
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde
CID 19867153
4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide
CID 139199481
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid?
The IUPAC name of 2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid (CID 175442040) is 2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid.
What is the SMILES notation for 2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid?
The canonical SMILES for 2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid is COc1cccc(C=O)c1O.O=C(O)c1cccnc1.
What is the InChIKey of 2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid?
The InChIKey is XJUYKZYOVPHJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C6H5NO2/c1-11-7-4-2-3-6(5-9)8(7)10;8-6(9)5-2-1-3-7-4-5/h2-5,10H,1H3;1-4H,(H,8,9).
What are the key properties of 2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid?
2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid is sourced from PubChem (CID 175442040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).