2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid

C19H15NO4 — CID 164853829

IUPAC2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid
SMILESCc1cccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)c1
InChIInChI=1S/C19H15NO4/c1-12-3-2-4-15(7-12)24-16-8-14(10-20-11-16)13-5-6-17(19(22)23)18(21)9-13/h2-11,21H,1H3,(H,22,23)
InChIKeyPLSFUZYMFRCZAC-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.25
Rot. Bonds4

About 2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid

2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid (PubChem CID 164853829) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid
PubChem CID164853829
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid
SMILESCc1cccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)c1
InChIInChI=1S/C19H15NO4/c1-12-3-2-4-15(7-12)24-16-8-14(10-20-11-16)13-5-6-17(19(22)23)18(21)9-13/h2-11,21H,1H3,(H,22,23)
InChIKeyPLSFUZYMFRCZAC-UHFFFAOYSA-N
XLogP4.25
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid?
The IUPAC name of 2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid (CID 164853829) is 2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid is Cc1cccc(Oc2cncc(-c3ccc(C(=O)O)c(O)c3)c2)c1.
What is the InChIKey of 2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid?
The InChIKey is PLSFUZYMFRCZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-12-3-2-4-15(7-12)24-16-8-14(10-20-11-16)13-5-6-17(19(22)23)18(21)9-13/h2-11,21H,1H3,(H,22,23).
What are the key properties of 2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid?
2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid has a molecular weight of 321.33 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[5-(3-methylphenoxy)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 164853829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).