2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid

C14H12N2O4 — CID 60831290

IUPAC2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccncc1)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O4/c17-12-3-1-11(2-4-12)16(9-13(18)19)14(20)10-5-7-15-8-6-10/h1-8,17H,9H2,(H,18,19)
InChIKeyNEAHSLHNHKEJKK-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.52
Rot. Bonds4

About 2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid

2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid (PubChem CID 60831290) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid
PubChem CID60831290
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccncc1)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O4/c17-12-3-1-11(2-4-12)16(9-13(18)19)14(20)10-5-7-15-8-6-10/h1-8,17H,9H2,(H,18,19)
InChIKeyNEAHSLHNHKEJKK-UHFFFAOYSA-N
XLogP1.52
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid?
The IUPAC name of 2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid (CID 60831290) is 2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid?
The canonical SMILES for 2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid is O=C(O)CN(C(=O)c1ccncc1)c1ccc(O)cc1.
What is the InChIKey of 2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid?
The InChIKey is NEAHSLHNHKEJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-12-3-1-11(2-4-12)16(9-13(18)19)14(20)10-5-7-15-8-6-10/h1-8,17H,9H2,(H,18,19).
What are the key properties of 2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid?
2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid has a molecular weight of 272.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid is sourced from PubChem (CID 60831290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).