2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid

C14H11N3O4 — CID 4278094

IUPAC2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1C(=O)Nc2ccccc2N1O
InChIInChI=1S/C14H11N3O4/c18-13(19)9-5-1-3-7-11(9)16-14(20)15-10-6-2-4-8-12(10)17(16)21/h1-8,21H,(H,15,20)(H,18,19)
InChIKeyMDPVWNABNGVNPT-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.55
Rot. Bonds2

About 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid

2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid (PubChem CID 4278094) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid
PubChem CID4278094
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid
SMILESO=C(O)c1ccccc1N1C(=O)Nc2ccccc2N1O
InChIInChI=1S/C14H11N3O4/c18-13(19)9-5-1-3-7-11(9)16-14(20)15-10-6-2-4-8-12(10)17(16)21/h1-8,21H,(H,15,20)(H,18,19)
InChIKeyMDPVWNABNGVNPT-UHFFFAOYSA-N
XLogP2.55
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid?
The IUPAC name of 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid (CID 4278094) is 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid.
What is the SMILES notation for 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid?
The canonical SMILES for 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid is O=C(O)c1ccccc1N1C(=O)Nc2ccccc2N1O.
What is the InChIKey of 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid?
The InChIKey is MDPVWNABNGVNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-13(19)9-5-1-3-7-11(9)16-14(20)15-10-6-2-4-8-12(10)17(16)21/h1-8,21H,(H,15,20)(H,18,19).
What are the key properties of 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid?
2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid has a molecular weight of 285.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)benzoic acid is sourced from PubChem (CID 4278094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).