2-hydroxy-4-pyridin-4-ylbenzoic acid

C12H9NO3 — CID 22710668

IUPAC2-hydroxy-4-pyridin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccncc2)cc1O
InChIInChI=1S/C12H9NO3/c14-11-7-9(1-2-10(11)12(15)16)8-3-5-13-6-4-8/h1-7,14H,(H,15,16)
InChIKeyDKTWIAGEOMXUHC-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.15
Rot. Bonds2

About 2-hydroxy-4-pyridin-4-ylbenzoic acid

2-hydroxy-4-pyridin-4-ylbenzoic acid (PubChem CID 22710668) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-hydroxy-4-pyridin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-pyridin-4-ylbenzoic acid
PubChem CID22710668
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name2-hydroxy-4-pyridin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccncc2)cc1O
InChIInChI=1S/C12H9NO3/c14-11-7-9(1-2-10(11)12(15)16)8-3-5-13-6-4-8/h1-7,14H,(H,15,16)
InChIKeyDKTWIAGEOMXUHC-UHFFFAOYSA-N
XLogP2.15
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
CID 139146382
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
4-pyridin-4-ylbenzene-1,2-diol
CID 604349
4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
CID 53225879
2-hydroxy-4-naphthalen-2-ylbenzoic acid
CID 53226801
2,5-dipyridin-4-ylterephthalic acid
CID 163197795
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid
CID 53227307
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
2-methyl-5-pyridin-4-ylphenol
CID 46316792

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-pyridin-4-ylbenzoic acid?
The IUPAC name of 2-hydroxy-4-pyridin-4-ylbenzoic acid (CID 22710668) is 2-hydroxy-4-pyridin-4-ylbenzoic acid.
What is the SMILES notation for 2-hydroxy-4-pyridin-4-ylbenzoic acid?
The canonical SMILES for 2-hydroxy-4-pyridin-4-ylbenzoic acid is O=C(O)c1ccc(-c2ccncc2)cc1O.
What is the InChIKey of 2-hydroxy-4-pyridin-4-ylbenzoic acid?
The InChIKey is DKTWIAGEOMXUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-11-7-9(1-2-10(11)12(15)16)8-3-5-13-6-4-8/h1-7,14H,(H,15,16).
What are the key properties of 2-hydroxy-4-pyridin-4-ylbenzoic acid?
2-hydroxy-4-pyridin-4-ylbenzoic acid has a molecular weight of 215.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-pyridin-4-ylbenzoic acid is sourced from PubChem (CID 22710668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).