methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate

C8H9ClN2O2S — CID 156861837

IUPACmethyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate
SMILESCOC(=O)CSc1ccc(Cl)nc1N
InChIInChI=1S/C8H9ClN2O2S/c1-13-7(12)4-14-5-2-3-6(9)11-8(5)10/h2-3H,4H2,1H3,(H2,10,11)
InChIKeySXFBTZKWRJPXCS-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.58
Rot. Bonds3

About methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate

methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate (PubChem CID 156861837) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate
PubChem CID156861837
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Namemethyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate
SMILESCOC(=O)CSc1ccc(Cl)nc1N
InChIInChI=1S/C8H9ClN2O2S/c1-13-7(12)4-14-5-2-3-6(9)11-8(5)10/h2-3H,4H2,1H3,(H2,10,11)
InChIKeySXFBTZKWRJPXCS-UHFFFAOYSA-N
XLogP1.58
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2,6-dichloro-4-pyridinyl)sulfanyl]acetate
CID 4053646
methyl 2-(6-amino-3-chloro-5-formylpyrazin-2-yl)sulfanylacetate
CID 13389078
methyl 2-[(4-amino-1,3-benzothiazol-5-yl)sulfanyl]acetate
CID 43617915
methyl 2-[4-chloro-2-(hydroxymethyl)phenyl]sulfanylacetate
CID 114865527
methyl 2-(2-methylphenyl)sulfanylacetate
CID 21235696
2,4-bis[(2-methoxy-2-oxoethyl)sulfanyl]phenolate
CID 19356368
methyl 2-(2,4-dimethoxyphenyl)sulfanylacetate
CID 117033993
methyl 2-(2,6-diaminopyrimidin-4-yl)sulfanylacetate
CID 80885528
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
methyl 2-(6-chloro-2-phenylpyrimidin-4-yl)sulfanylacetate
CID 112559696
methyl 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetate
CID 760825
methyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
CID 742811

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate?
The IUPAC name of methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate (CID 156861837) is methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate?
The canonical SMILES for methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate is COC(=O)CSc1ccc(Cl)nc1N.
What is the InChIKey of methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate?
The InChIKey is SXFBTZKWRJPXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c1-13-7(12)4-14-5-2-3-6(9)11-8(5)10/h2-3H,4H2,1H3,(H2,10,11).
What are the key properties of methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate?
methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate has a molecular weight of 232.69 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate is sourced from PubChem (CID 156861837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).