2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid

C17H13N3O3 — CID 10958446

IUPAC2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cc(=O)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H13N3O3/c21-14-10-15(18-13-9-5-4-8-12(13)17(22)23)19-20-16(14)11-6-2-1-3-7-11/h1-10H,(H,22,23)(H2,18,19,21)
InChIKeyNTNPHOPKLROKSU-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.88
Rot. Bonds4

About 2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid

2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid (PubChem CID 10958446) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid
PubChem CID10958446
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cc(=O)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H13N3O3/c21-14-10-15(18-13-9-5-4-8-12(13)17(22)23)19-20-16(14)11-6-2-1-3-7-11/h1-10H,(H,22,23)(H2,18,19,21)
InChIKeyNTNPHOPKLROKSU-UHFFFAOYSA-N
XLogP2.88
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid?
The IUPAC name of 2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid (CID 10958446) is 2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid?
The canonical SMILES for 2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid is O=C(O)c1ccccc1Nc1cc(=O)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid?
The InChIKey is NTNPHOPKLROKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-14-10-15(18-13-9-5-4-8-12(13)17(22)23)19-20-16(14)11-6-2-1-3-7-11/h1-10H,(H,22,23)(H2,18,19,21).
What are the key properties of 2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid?
2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid has a molecular weight of 307.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3-phenyl-1H-pyridazin-6-yl)amino]benzoic acid is sourced from PubChem (CID 10958446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).