[(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate

C9H10ClNO2 — CID 101372660

IUPAC[(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate
SMILESCC(=O)O[C@H](C)c1cc(Cl)ccn1
InChIInChI=1S/C9H10ClNO2/c1-6(13-7(2)12)9-5-8(10)3-4-11-9/h3-6H,1-2H3/t6-/m1/s1
InChIKeyUEPMXZXFRMPREC-ZCFIWIBFSA-N
MW199.64 g/mol
LogP2.36
Rot. Bonds2

About [(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate

[(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate (PubChem CID 101372660) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is [(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate
PubChem CID101372660
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name[(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate
SMILESCC(=O)O[C@H](C)c1cc(Cl)ccn1
InChIInChI=1S/C9H10ClNO2/c1-6(13-7(2)12)9-5-8(10)3-4-11-9/h3-6H,1-2H3/t6-/m1/s1
InChIKeyUEPMXZXFRMPREC-ZCFIWIBFSA-N
XLogP2.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate?
The IUPAC name of [(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate (CID 101372660) is [(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate.
What is the SMILES notation for [(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate?
The canonical SMILES for [(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate is CC(=O)O[C@H](C)c1cc(Cl)ccn1.
What is the InChIKey of [(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate?
The InChIKey is UEPMXZXFRMPREC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6(13-7(2)12)9-5-8(10)3-4-11-9/h3-6H,1-2H3/t6-/m1/s1.
What are the key properties of [(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate?
[(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate has a molecular weight of 199.64 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chloro-2-pyridinyl)ethyl] acetate is sourced from PubChem (CID 101372660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).