(2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid

C14H13AsN2O7 — CID 175249712

IUPAC(2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid
SMILESCC(=O)Nc1cc(O)ccc1[As](=O)(O)OC(=O)c1ncccc1O
InChIInChI=1S/C14H13AsN2O7/c1-8(18)17-11-7-9(19)4-5-10(11)15(22,23)24-14(21)13-12(20)3-2-6-16-13/h2-7,19-20H,1H3,(H,17,18)(H,22,23)
InChIKeyUECWFSTZRVMHQS-UHFFFAOYSA-N
MW396.19 g/mol
LogP-0.12
Rot. Bonds4

About (2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid

(2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid (PubChem CID 175249712) has the molecular formula C14H13AsN2O7 and a molecular weight of 396.19 g/mol. Its IUPAC name is (2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid.

Molecular Properties

Compound Name(2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid
PubChem CID175249712
Molecular FormulaC14H13AsN2O7
Molecular Weight396.19 g/mol
Exact Mass395.99
IUPAC Name(2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid
SMILESCC(=O)Nc1cc(O)ccc1[As](=O)(O)OC(=O)c1ncccc1O
InChIInChI=1S/C14H13AsN2O7/c1-8(18)17-11-7-9(19)4-5-10(11)15(22,23)24-14(21)13-12(20)3-2-6-16-13/h2-7,19-20H,1H3,(H,17,18)(H,22,23)
InChIKeyUECWFSTZRVMHQS-UHFFFAOYSA-N
XLogP-0.12
TPSA146.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid?
The IUPAC name of (2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid (CID 175249712) is (2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid.
What is the SMILES notation for (2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid?
The canonical SMILES for (2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid is CC(=O)Nc1cc(O)ccc1[As](=O)(O)OC(=O)c1ncccc1O.
What is the InChIKey of (2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid?
The InChIKey is UECWFSTZRVMHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13AsN2O7/c1-8(18)17-11-7-9(19)4-5-10(11)15(22,23)24-14(21)13-12(20)3-2-6-16-13/h2-7,19-20H,1H3,(H,17,18)(H,22,23).
What are the key properties of (2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid?
(2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid has a molecular weight of 396.19 g/mol, XLogP of -0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-4-hydroxyphenyl)-(3-hydroxypyridine-2-carbonyl)oxyarsinic acid is sourced from PubChem (CID 175249712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).