methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate

C12H16ClNO3 — CID 91506966

IUPACmethyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate
SMILESCCc1nc(C)c(C(O)C(=O)OC)c(Cl)c1C
InChIInChI=1S/C12H16ClNO3/c1-5-8-6(2)10(13)9(7(3)14-8)11(15)12(16)17-4/h11,15H,5H2,1-4H3
InChIKeyYCFRVBHDMCZFIN-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.12
Rot. Bonds3

About methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate

methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate (PubChem CID 91506966) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate
PubChem CID91506966
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Namemethyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate
SMILESCCc1nc(C)c(C(O)C(=O)OC)c(Cl)c1C
InChIInChI=1S/C12H16ClNO3/c1-5-8-6(2)10(13)9(7(3)14-8)11(15)12(16)17-4/h11,15H,5H2,1-4H3
InChIKeyYCFRVBHDMCZFIN-UHFFFAOYSA-N
XLogP2.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-methyl 2-(4-chloro-2-methylquinolin-3-yl)-2-hydroxyacetate
CID 70854636
2-[2-Chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetic acid
CID 106971596
Ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate
CID 106971597
Methyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate
CID 113899553
Methyl 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-2,3-dihydroxypropanoate
CID 171865204
Ethyl 3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-2,3-dihydroxypropanoate
CID 171867247
2-(3-Butyl-4-chloro-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)acetic acid
CID 20246790
methyl (2S)-2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate
CID 49803904
methyl (2S)-2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 49804190
methyl (2S)-2-(4-chloro-6-cyano-2,5-dimethyl-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 49804191
Ethyl(2,6-dimethyl-3-pyridinyl)(hydroxy)acetate
CID 59570481
methyl 4-chloro-5-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-3,6-dimethylpyridine-2-carboxylate
CID 59578481

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate (CID 91506966) is methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate is CCc1nc(C)c(C(O)C(=O)OC)c(Cl)c1C.
What is the InChIKey of methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate?
The InChIKey is YCFRVBHDMCZFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-5-8-6(2)10(13)9(7(3)14-8)11(15)12(16)17-4/h11,15H,5H2,1-4H3.
What are the key properties of methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate?
methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate has a molecular weight of 257.72 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-6-ethyl-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate is sourced from PubChem (CID 91506966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).