(3-chloro-4-ethyl-2-pyridinyl) acetate

C9H10ClNO2 — CID 66916950

IUPAC(3-chloro-4-ethyl-2-pyridinyl) acetate
SMILESCCc1ccnc(OC(C)=O)c1Cl
InChIInChI=1S/C9H10ClNO2/c1-3-7-4-5-11-9(8(7)10)13-6(2)12/h4-5H,3H2,1-2H3
InChIKeyJBKSMJYKUVJINK-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.22
Rot. Bonds2

About (3-chloro-4-ethyl-2-pyridinyl) acetate

(3-chloro-4-ethyl-2-pyridinyl) acetate (PubChem CID 66916950) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (3-chloro-4-ethyl-2-pyridinyl) acetate.

Molecular Properties

Compound Name(3-chloro-4-ethyl-2-pyridinyl) acetate
PubChem CID66916950
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(3-chloro-4-ethyl-2-pyridinyl) acetate
SMILESCCc1ccnc(OC(C)=O)c1Cl
InChIInChI=1S/C9H10ClNO2/c1-3-7-4-5-11-9(8(7)10)13-6(2)12/h4-5H,3H2,1-2H3
InChIKeyJBKSMJYKUVJINK-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-ethyl-2-pyridinyl) acetate?
The IUPAC name of (3-chloro-4-ethyl-2-pyridinyl) acetate (CID 66916950) is (3-chloro-4-ethyl-2-pyridinyl) acetate.
What is the SMILES notation for (3-chloro-4-ethyl-2-pyridinyl) acetate?
The canonical SMILES for (3-chloro-4-ethyl-2-pyridinyl) acetate is CCc1ccnc(OC(C)=O)c1Cl.
What is the InChIKey of (3-chloro-4-ethyl-2-pyridinyl) acetate?
The InChIKey is JBKSMJYKUVJINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-3-7-4-5-11-9(8(7)10)13-6(2)12/h4-5H,3H2,1-2H3.
What are the key properties of (3-chloro-4-ethyl-2-pyridinyl) acetate?
(3-chloro-4-ethyl-2-pyridinyl) acetate has a molecular weight of 199.64 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-ethyl-2-pyridinyl) acetate is sourced from PubChem (CID 66916950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).