2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid

C18H12N2O4 — CID 11973700

IUPAC2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid
SMILESO=C1C=CC(=C(c2ccc(O)cn2)c2ccccc2C(=O)O)N=C1
InChIInChI=1S/C18H12N2O4/c21-11-5-7-15(19-9-11)17(16-8-6-12(22)10-20-16)13-3-1-2-4-14(13)18(23)24/h1-10,21H,(H,23,24)
InChIKeySQMPWNCPUKCUBJ-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.45
Rot. Bonds3

About 2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid

2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid (PubChem CID 11973700) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid
PubChem CID11973700
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid
SMILESO=C1C=CC(=C(c2ccc(O)cn2)c2ccccc2C(=O)O)N=C1
InChIInChI=1S/C18H12N2O4/c21-11-5-7-15(19-9-11)17(16-8-6-12(22)10-20-16)13-3-1-2-4-14(13)18(23)24/h1-10,21H,(H,23,24)
InChIKeySQMPWNCPUKCUBJ-UHFFFAOYSA-N
XLogP2.45
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid?
The IUPAC name of 2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid (CID 11973700) is 2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid.
What is the SMILES notation for 2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid?
The canonical SMILES for 2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid is O=C1C=CC(=C(c2ccc(O)cn2)c2ccccc2C(=O)O)N=C1.
What is the InChIKey of 2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid?
The InChIKey is SQMPWNCPUKCUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-11-5-7-15(19-9-11)17(16-8-6-12(22)10-20-16)13-3-1-2-4-14(13)18(23)24/h1-10,21H,(H,23,24).
What are the key properties of 2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid?
2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid has a molecular weight of 320.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2-pyridinyl)-(5-oxo-2-pyridinylidene)methyl]benzoic acid is sourced from PubChem (CID 11973700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).