2-(2-methyl-2H-pyridin-1-yl)ethyl acetate

C10H15NO2 — CID 172786988

IUPAC2-(2-methyl-2H-pyridin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1C=CC=CC1C
InChIInChI=1S/C10H15NO2/c1-9-5-3-4-6-11(9)7-8-13-10(2)12/h3-6,9H,7-8H2,1-2H3
InChIKeyPAOAMDXZDBQYDK-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.32
Rot. Bonds3

About 2-(2-methyl-2H-pyridin-1-yl)ethyl acetate

2-(2-methyl-2H-pyridin-1-yl)ethyl acetate (PubChem CID 172786988) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(2-methyl-2H-pyridin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-methyl-2H-pyridin-1-yl)ethyl acetate
PubChem CID172786988
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(2-methyl-2H-pyridin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1C=CC=CC1C
InChIInChI=1S/C10H15NO2/c1-9-5-3-4-6-11(9)7-8-13-10(2)12/h3-6,9H,7-8H2,1-2H3
InChIKeyPAOAMDXZDBQYDK-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-methylpicolinate
CID 129791326
methyl (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate
CID 11321791
1,2-Dihydropyridin-2-ylmethyl acetate
CID 19041004
ethyl 2-(2H-pyridin-1-yl)acetate
CID 19829253
2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate
CID 58837120
(2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid
CID 69080015
ethyl 4H-quinolizine-4-carboxylate
CID 88259876
2-(2H-pyridin-1-yl)ethyl acetate
CID 135263794
ethyl 2-(4-hydroxy-2-methyl-2H-pyridin-1-yl)acetate
CID 135339865
ethyl 2-(2H-pyridin-1-yl)propanoate
CID 152688997
2-methylpropyl 2-(2,6-dimethyl-2H-pyridin-1-yl)acetate
CID 156371340
ethyl 1-methyl-2H-pyridine-2-carboxylate
CID 163421057

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2H-pyridin-1-yl)ethyl acetate?
The IUPAC name of 2-(2-methyl-2H-pyridin-1-yl)ethyl acetate (CID 172786988) is 2-(2-methyl-2H-pyridin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(2-methyl-2H-pyridin-1-yl)ethyl acetate?
The canonical SMILES for 2-(2-methyl-2H-pyridin-1-yl)ethyl acetate is CC(=O)OCCN1C=CC=CC1C.
What is the InChIKey of 2-(2-methyl-2H-pyridin-1-yl)ethyl acetate?
The InChIKey is PAOAMDXZDBQYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-9-5-3-4-6-11(9)7-8-13-10(2)12/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-(2-methyl-2H-pyridin-1-yl)ethyl acetate?
2-(2-methyl-2H-pyridin-1-yl)ethyl acetate has a molecular weight of 181.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2H-pyridin-1-yl)ethyl acetate is sourced from PubChem (CID 172786988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).