[ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid

C9H10N2O3S — CID 173490555

IUPAC[ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid
SMILESCCSC(=NC(=O)O)c1ncccc1O
InChIInChI=1S/C9H10N2O3S/c1-2-15-8(11-9(13)14)7-6(12)4-3-5-10-7/h3-5,12H,2H2,1H3,(H,13,14)
InChIKeyAAEZKZRPDSOCPF-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.96
Rot. Bonds2

About [ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid

[ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid (PubChem CID 173490555) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is [ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid.

Molecular Properties

Compound Name[ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid
PubChem CID173490555
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name[ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid
SMILESCCSC(=NC(=O)O)c1ncccc1O
InChIInChI=1S/C9H10N2O3S/c1-2-15-8(11-9(13)14)7-6(12)4-3-5-10-7/h3-5,12H,2H2,1H3,(H,13,14)
InChIKeyAAEZKZRPDSOCPF-UHFFFAOYSA-N
XLogP1.96
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

propyl 3-hydroxypyridine-2-carboxylate
CID 60923594
[ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate
CID 71345151
3-hydroxypyridine-2-carbohydrazide
CID 45083058
1-(3-hydroxy-2-pyridinyl)nonan-1-one
CID 137395419
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
CID 113308420
(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 107833697
2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
N-(2,2-dimethylbutyl)-3-hydroxypyridine-2-carboxamide
CID 103461999
bromo 3-hydroxypyridine-2-carboxylate
CID 174630799
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
1-(3-ethylsulfanyl-2-pyridinyl)propan-1-one
CID 129177668

Frequently Asked Questions

What is the IUPAC name of [ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid?
The IUPAC name of [ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid (CID 173490555) is [ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid.
What is the SMILES notation for [ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid?
The canonical SMILES for [ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid is CCSC(=NC(=O)O)c1ncccc1O.
What is the InChIKey of [ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid?
The InChIKey is AAEZKZRPDSOCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-2-15-8(11-9(13)14)7-6(12)4-3-5-10-7/h3-5,12H,2H2,1H3,(H,13,14).
What are the key properties of [ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid?
[ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid has a molecular weight of 226.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid is sourced from PubChem (CID 173490555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).