4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid

C18H14N2O3 — CID 164853823

IUPAC4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2cncc(Nc3ccccc3)c2)cc1O
InChIInChI=1S/C18H14N2O3/c21-17-9-12(6-7-16(17)18(22)23)13-8-15(11-19-10-13)20-14-4-2-1-3-5-14/h1-11,20-21H,(H,22,23)
InChIKeyCTQXQTVRAJOIOI-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.90
Rot. Bonds4

About 4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid

4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid (PubChem CID 164853823) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid
PubChem CID164853823
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2cncc(Nc3ccccc3)c2)cc1O
InChIInChI=1S/C18H14N2O3/c21-17-9-12(6-7-16(17)18(22)23)13-8-15(11-19-10-13)20-14-4-2-1-3-5-14/h1-11,20-21H,(H,22,23)
InChIKeyCTQXQTVRAJOIOI-UHFFFAOYSA-N
XLogP3.90
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid (CID 164853823) is 4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid is O=C(O)c1ccc(-c2cncc(Nc3ccccc3)c2)cc1O.
What is the InChIKey of 4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid?
The InChIKey is CTQXQTVRAJOIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-17-9-12(6-7-16(17)18(22)23)13-8-15(11-19-10-13)20-14-4-2-1-3-5-14/h1-11,20-21H,(H,22,23).
What are the key properties of 4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid?
4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid has a molecular weight of 306.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-anilino-3-pyridinyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 164853823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).