2-hydroxybenzaldehyde;pyridine-3-carboxylic acid

C13H11NO4 — CID 158573582

IUPAC2-hydroxybenzaldehyde;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H5NO2/c8-5-6-3-1-2-4-7(6)9;8-6(9)5-2-1-3-7-4-5/h1-5,9H;1-4H,(H,8,9)
InChIKeyHSJNYUVSEORALH-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.98
Rot. Bonds2

About 2-hydroxybenzaldehyde;pyridine-3-carboxylic acid

2-hydroxybenzaldehyde;pyridine-3-carboxylic acid (PubChem CID 158573582) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-hydroxybenzaldehyde;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-hydroxybenzaldehyde;pyridine-3-carboxylic acid
PubChem CID158573582
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name2-hydroxybenzaldehyde;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H5NO2/c8-5-6-3-1-2-4-7(6)9;8-6(9)5-2-1-3-7-4-5/h1-5,9H;1-4H,(H,8,9)
InChIKeyHSJNYUVSEORALH-UHFFFAOYSA-N
XLogP1.98
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid
CID 175442040
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042
CID 158421076
CID 158421076
silver;bis(pyridine-3-carboxylic acid);perchlorate
CID 139075999
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
iodoethane;pyridine-3-carboxylic acid
CID 158495952
2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
CID 146402763
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzaldehyde;pyridine-3-carboxylic acid?
The IUPAC name of 2-hydroxybenzaldehyde;pyridine-3-carboxylic acid (CID 158573582) is 2-hydroxybenzaldehyde;pyridine-3-carboxylic acid.
What is the SMILES notation for 2-hydroxybenzaldehyde;pyridine-3-carboxylic acid?
The canonical SMILES for 2-hydroxybenzaldehyde;pyridine-3-carboxylic acid is O=C(O)c1cccnc1.O=Cc1ccccc1O.
What is the InChIKey of 2-hydroxybenzaldehyde;pyridine-3-carboxylic acid?
The InChIKey is HSJNYUVSEORALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H5NO2/c8-5-6-3-1-2-4-7(6)9;8-6(9)5-2-1-3-7-4-5/h1-5,9H;1-4H,(H,8,9).
What are the key properties of 2-hydroxybenzaldehyde;pyridine-3-carboxylic acid?
2-hydroxybenzaldehyde;pyridine-3-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzaldehyde;pyridine-3-carboxylic acid is sourced from PubChem (CID 158573582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).