2-formyl-4-pyridin-2-ylbenzoic acid

C13H9NO3 — CID 143027817

IUPAC2-formyl-4-pyridin-2-ylbenzoic acid
SMILESO=Cc1cc(-c2ccccn2)ccc1C(=O)O
InChIInChI=1S/C13H9NO3/c15-8-10-7-9(4-5-11(10)13(16)17)12-3-1-2-6-14-12/h1-8H,(H,16,17)
InChIKeyTXIBLDBMKJSZSA-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.26
Rot. Bonds3

About 2-formyl-4-pyridin-2-ylbenzoic acid

2-formyl-4-pyridin-2-ylbenzoic acid (PubChem CID 143027817) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-formyl-4-pyridin-2-ylbenzoic acid.

Molecular Properties

Compound Name2-formyl-4-pyridin-2-ylbenzoic acid
PubChem CID143027817
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name2-formyl-4-pyridin-2-ylbenzoic acid
SMILESO=Cc1cc(-c2ccccn2)ccc1C(=O)O
InChIInChI=1S/C13H9NO3/c15-8-10-7-9(4-5-11(10)13(16)17)12-3-1-2-6-14-12/h1-8H,(H,16,17)
InChIKeyTXIBLDBMKJSZSA-UHFFFAOYSA-N
XLogP2.26
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-pyridin-2-ylbenzoic acid
CID 63679251
2-fluoro-5-pyridin-2-ylbenzaldehyde
CID 63680969
4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde
CID 59800933
2-(2-pyridin-2-yl-4-pyridinyl)benzene-1,3-dicarboxylic acid
CID 90991096
formyl chloride;2-phenylpyridine
CID 175066008
2,4-diformylbenzoic acid
CID 22491758
2-phenylpyridine;propan-2-one
CID 174845023
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2,6-difluoro-4-pyridin-2-ylbenzoic acid
CID 176582239
3-pyridin-2-ylbenzoate
CID 7020368
boric acid;2-naphthalen-2-ylpyridine
CID 175005821
(E)-3-(3-pyridin-2-ylphenyl)but-2-enoic acid
CID 82544253

Frequently Asked Questions

What is the IUPAC name of 2-formyl-4-pyridin-2-ylbenzoic acid?
The IUPAC name of 2-formyl-4-pyridin-2-ylbenzoic acid (CID 143027817) is 2-formyl-4-pyridin-2-ylbenzoic acid.
What is the SMILES notation for 2-formyl-4-pyridin-2-ylbenzoic acid?
The canonical SMILES for 2-formyl-4-pyridin-2-ylbenzoic acid is O=Cc1cc(-c2ccccn2)ccc1C(=O)O.
What is the InChIKey of 2-formyl-4-pyridin-2-ylbenzoic acid?
The InChIKey is TXIBLDBMKJSZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-8-10-7-9(4-5-11(10)13(16)17)12-3-1-2-6-14-12/h1-8H,(H,16,17).
What are the key properties of 2-formyl-4-pyridin-2-ylbenzoic acid?
2-formyl-4-pyridin-2-ylbenzoic acid has a molecular weight of 227.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-4-pyridin-2-ylbenzoic acid is sourced from PubChem (CID 143027817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).