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

C10H11Cl2NO3 — CID 75282850

IUPACmethyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(C)nc(Cl)c(C)c1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-4-7(11)6(5(2)13-9(4)12)8(14)10(15)16-3/h8,14H,1-3H3
InChIKeyLOUISBWLNFWKEQ-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.21
Rot. Bonds2

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

methyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate (PubChem CID 75282850) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is methyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate
PubChem CID75282850
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Namemethyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(C)nc(Cl)c(C)c1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-4-7(11)6(5(2)13-9(4)12)8(14)10(15)16-3/h8,14H,1-3H3
InChIKeyLOUISBWLNFWKEQ-UHFFFAOYSA-N
XLogP2.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate (CID 75282850) is methyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate is COC(=O)C(O)c1c(C)nc(Cl)c(C)c1Cl.
What is the InChIKey of methyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate?
The InChIKey is LOUISBWLNFWKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-4-7(11)6(5(2)13-9(4)12)8(14)10(15)16-3/h8,14H,1-3H3.
What are the key properties of methyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate?
methyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate has a molecular weight of 264.11 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dichloro-2,5-dimethyl-3-pyridinyl)-2-hydroxyacetate is sourced from PubChem (CID 75282850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).