2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid

C14H12N2O5 — CID 143610427

IUPAC2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid
SMILESCc1ccc(C(=O)c2ncc(O)cc2NO)c(C(=O)O)c1
InChIInChI=1S/C14H12N2O5/c1-7-2-3-9(10(4-7)14(19)20)13(18)12-11(16-21)5-8(17)6-15-12/h2-6,16-17,21H,1H3,(H,19,20)
InChIKeyMSODAMNOJVBGGU-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.83
Rot. Bonds4

About 2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid

2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid (PubChem CID 143610427) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid
PubChem CID143610427
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid
SMILESCc1ccc(C(=O)c2ncc(O)cc2NO)c(C(=O)O)c1
InChIInChI=1S/C14H12N2O5/c1-7-2-3-9(10(4-7)14(19)20)13(18)12-11(16-21)5-8(17)6-15-12/h2-6,16-17,21H,1H3,(H,19,20)
InChIKeyMSODAMNOJVBGGU-UHFFFAOYSA-N
XLogP1.83
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-3-(hydroxyamino)pyridine-2-carbonyl]-4-methoxybenzoic acid;1-chloro-4-methyl-2-(trifluoromethyl)benzene;formaldehyde
CID 143262631
5-methyl-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24702059
2-(2-aminobenzoyl)-5-methylbenzoic acid
CID 83381345
2-carboxy-5-methylphenolate
CID 54675829
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
2-ethyl-4-methylbenzoic acid
CID 19886963
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
5-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115596430
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid?
The IUPAC name of 2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid (CID 143610427) is 2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid.
What is the SMILES notation for 2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid?
The canonical SMILES for 2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid is Cc1ccc(C(=O)c2ncc(O)cc2NO)c(C(=O)O)c1.
What is the InChIKey of 2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid?
The InChIKey is MSODAMNOJVBGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-7-2-3-9(10(4-7)14(19)20)13(18)12-11(16-21)5-8(17)6-15-12/h2-6,16-17,21H,1H3,(H,19,20).
What are the key properties of 2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid?
2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid has a molecular weight of 288.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-3-(hydroxyamino)pyridine-2-carbonyl]-5-methylbenzoic acid is sourced from PubChem (CID 143610427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).