[(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate

C10H11Cl2NO3 — CID 140972130

IUPAC[(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate
SMILESCC(=O)OC[C@H](CO)c1nccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-6(15)16-5-7(4-14)10-9(12)8(11)2-3-13-10/h2-3,7,14H,4-5H2,1H3/t7-/m0/s1
InChIKeyDEKLIGYWPBCILP-ZETCQYMHSA-N
MW264.11 g/mol
LogP2.03
Rot. Bonds4

About [(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate

[(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate (PubChem CID 140972130) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is [(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate.

Molecular Properties

Compound Name[(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate
PubChem CID140972130
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name[(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate
SMILESCC(=O)OC[C@H](CO)c1nccc(Cl)c1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-6(15)16-5-7(4-14)10-9(12)8(11)2-3-13-10/h2-3,7,14H,4-5H2,1H3/t7-/m0/s1
InChIKeyDEKLIGYWPBCILP-ZETCQYMHSA-N
XLogP2.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate?
The IUPAC name of [(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate (CID 140972130) is [(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate.
What is the SMILES notation for [(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate?
The canonical SMILES for [(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate is CC(=O)OC[C@H](CO)c1nccc(Cl)c1Cl.
What is the InChIKey of [(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate?
The InChIKey is DEKLIGYWPBCILP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-6(15)16-5-7(4-14)10-9(12)8(11)2-3-13-10/h2-3,7,14H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate?
[(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate has a molecular weight of 264.11 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3,4-dichloro-2-pyridinyl)-3-hydroxypropyl] acetate is sourced from PubChem (CID 140972130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).