methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate

C9H11NO3S — CID 60722786

IUPACmethyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1SCCO
InChIInChI=1S/C9H11NO3S/c1-13-9(12)7-3-2-4-10-8(7)14-6-5-11/h2-4,11H,5-6H2,1H3
InChIKeyASSPGBPKFQDRJN-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.95
Rot. Bonds4

About methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate

methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate (PubChem CID 60722786) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate
PubChem CID60722786
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Namemethyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1SCCO
InChIInChI=1S/C9H11NO3S/c1-13-9(12)7-3-2-4-10-8(7)14-6-5-11/h2-4,11H,5-6H2,1H3
InChIKeyASSPGBPKFQDRJN-UHFFFAOYSA-N
XLogP0.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-hydroxy-2-methylpropyl)sulfanylpyridine-3-carboxylate
CID 66105968
CID 87392386
CID 87392386
2-[(3-methoxycarbonyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 81230057
3-[(3-ethoxycarbonyl-2-pyridinyl)sulfanyl]propanoic acid
CID 24693927
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2-[2-(3-methoxypropoxy)ethylsulfanyl]pyridine-3-carboxylic acid
CID 103177403
methyl 3-[(3-carbamoyl-2-pyridinyl)sulfanyl]-2-methylpropanoate
CID 66112894
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]pyridine-3-carboxylic acid
CID 112587932
methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 42965935
methyl 2-[(3-amino-4-pyridinyl)sulfanyl]pyridine-3-carboxylate
CID 62111629
2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid
CID 80700083

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate (CID 60722786) is methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate is COC(=O)c1cccnc1SCCO.
What is the InChIKey of methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate?
The InChIKey is ASSPGBPKFQDRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-13-9(12)7-3-2-4-10-8(7)14-6-5-11/h2-4,11H,5-6H2,1H3.
What are the key properties of methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate?
methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate has a molecular weight of 213.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyethylsulfanyl)pyridine-3-carboxylate is sourced from PubChem (CID 60722786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).