methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate

C10H11Cl2NO3 — CID 165431123

IUPACmethyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate
SMILESCC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C10H11Cl2NO3/c1-3-8(10(14)15-2)16-9-7(12)4-6(11)5-13-9/h4-5,8H,3H2,1-2H3/t8-/m1/s1
InChIKeyPIUBKMFFAHWMBP-MRVPVSSYSA-N
MW264.11 g/mol
LogP2.72
Rot. Bonds4

About methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate

methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate (PubChem CID 165431123) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate
PubChem CID165431123
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Namemethyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate
SMILESCC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)OC
InChIInChI=1S/C10H11Cl2NO3/c1-3-8(10(14)15-2)16-9-7(12)4-6(11)5-13-9/h4-5,8H,3H2,1-2H3/t8-/m1/s1
InChIKeyPIUBKMFFAHWMBP-MRVPVSSYSA-N
XLogP2.72
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate?
The IUPAC name of methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate (CID 165431123) is methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate.
What is the SMILES notation for methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate?
The canonical SMILES for methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate is CC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate?
The InChIKey is PIUBKMFFAHWMBP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-3-8(10(14)15-2)16-9-7(12)4-6(11)5-13-9/h4-5,8H,3H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate?
methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate has a molecular weight of 264.11 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate is sourced from PubChem (CID 165431123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).