2-((5-Methoxy-6-nitropyridin-2-yl)methylthio)acetic acid

HCID 14625083
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Basic information

Standard SMILES
COc1ccc(CSCC(=O)O)nc1[N+](=O)[O-]
InChIKey
HPELUFFJYFGZHY-UHFFFAOYSA-N
Molecular formula
C9H10N2O5S
Average molar mass
258.25 g/mol

Names & identifiers

Preferred name
2-((5-Methoxy-6-nitropyridin-2-yl)methylthio)acetic acid
IUPAC
2-[(5-methoxy-6-nitro-2-pyridinyl)methylsulfanyl]acetic acid

Names & synonyms

SCHEMBL15123817HPELUFFJYFGZHY-UHFFFAOYSA-NDB-0897122-((5-methoxy-6-nitropyridin-2-yl)methylthio)acetic acid1353547-98-4

Database identifiers

PubChem CID
14625083

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
131 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
17

Related reactions

1 records
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Compound notes

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