2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid

C8H8N2O3 — CID 173058335

IUPAC2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid
SMILESCc1cccnc1C(=NO)C(=O)O
InChIInChI=1S/C8H8N2O3/c1-5-3-2-4-9-6(5)7(10-13)8(11)12/h2-4,13H,1H3,(H,11,12)
InChIKeyHJYBTVFHAHIOIQ-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.65
Rot. Bonds2

About 2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid

2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid (PubChem CID 173058335) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid
PubChem CID173058335
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid
SMILESCc1cccnc1C(=NO)C(=O)O
InChIInChI=1S/C8H8N2O3/c1-5-3-2-4-9-6(5)7(10-13)8(11)12/h2-4,13H,1H3,(H,11,12)
InChIKeyHJYBTVFHAHIOIQ-UHFFFAOYSA-N
XLogP0.65
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
2-(3-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 130026238
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
ethane;4-methylbenzoic acid;3-methylpyridine-2-carboxylic acid
CID 178019084
2-bromo-1-(3-methyl-2-pyridinyl)propan-1-one
CID 71428247
N'-amino-3-methylpyridine-2-carboximidamide
CID 69377303
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940244
ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate
CID 53419388
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,3-dimethylpyridine-2-carboxamide
CID 55059953
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940182

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid (CID 173058335) is 2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid is Cc1cccnc1C(=NO)C(=O)O.
What is the InChIKey of 2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid?
The InChIKey is HJYBTVFHAHIOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-5-3-2-4-9-6(5)7(10-13)8(11)12/h2-4,13H,1H3,(H,11,12).
What are the key properties of 2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid?
2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid has a molecular weight of 180.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 173058335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).