1-(4-methyl-2-pyridinyl)ethyl acetate

C10H13NO2 — CID 174538455

IUPAC1-(4-methyl-2-pyridinyl)ethyl acetate
SMILESCC(=O)OC(C)c1cc(C)ccn1
InChIInChI=1S/C10H13NO2/c1-7-4-5-11-10(6-7)8(2)13-9(3)12/h4-6,8H,1-3H3
InChIKeyWYHCHRSMOUNXHY-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.01
Rot. Bonds2

About 1-(4-methyl-2-pyridinyl)ethyl acetate

1-(4-methyl-2-pyridinyl)ethyl acetate (PubChem CID 174538455) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)ethyl acetate.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)ethyl acetate
PubChem CID174538455
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(4-methyl-2-pyridinyl)ethyl acetate
SMILESCC(=O)OC(C)c1cc(C)ccn1
InChIInChI=1S/C10H13NO2/c1-7-4-5-11-10(6-7)8(2)13-9(3)12/h4-6,8H,1-3H3
InChIKeyWYHCHRSMOUNXHY-UHFFFAOYSA-N
XLogP2.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)ethyl acetate?
The IUPAC name of 1-(4-methyl-2-pyridinyl)ethyl acetate (CID 174538455) is 1-(4-methyl-2-pyridinyl)ethyl acetate.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)ethyl acetate?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)ethyl acetate is CC(=O)OC(C)c1cc(C)ccn1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)ethyl acetate?
The InChIKey is WYHCHRSMOUNXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-5-11-10(6-7)8(2)13-9(3)12/h4-6,8H,1-3H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)ethyl acetate?
1-(4-methyl-2-pyridinyl)ethyl acetate has a molecular weight of 179.22 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)ethyl acetate is sourced from PubChem (CID 174538455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).