2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid

C7H7NO3S — CID 177191989

IUPAC2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(SO)cn1
InChIInChI=1S/C7H7NO3S/c9-7(10)3-5-1-2-6(12-11)4-8-5/h1-2,4,11H,3H2,(H,9,10)
InChIKeySZEGRTHWIWRGHT-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.27
Rot. Bonds3

About 2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid

2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid (PubChem CID 177191989) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid
PubChem CID177191989
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ccc(SO)cn1
InChIInChI=1S/C7H7NO3S/c9-7(10)3-5-1-2-6(12-11)4-8-5/h1-2,4,11H,3H2,(H,9,10)
InChIKeySZEGRTHWIWRGHT-UHFFFAOYSA-N
XLogP1.27
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-ethylsulfanyl-2-pyridinyl)acetic acid
CID 145231908
2-(5-acetyl-2-pyridinyl)acetic acid
CID 122715563
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-(5-formamido-2-pyridinyl)acetic acid
CID 107339372
2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
CID 107339875
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
CID 131857449
CID 131857449
2-[5-(4-bromo-1,2-dihydroxybutyl)-2-pyridinyl]acetic acid
CID 171892466
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339030

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid (CID 177191989) is 2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid is O=C(O)Cc1ccc(SO)cn1.
What is the InChIKey of 2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid?
The InChIKey is SZEGRTHWIWRGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c9-7(10)3-5-1-2-6(12-11)4-8-5/h1-2,4,11H,3H2,(H,9,10).
What are the key properties of 2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid?
2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid has a molecular weight of 185.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 177191989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).