ethane;methyl 2-(4-methyl-2-pyridinyl)acetate

C11H17NO2 — CID 144506268

IUPACethane;methyl 2-(4-methyl-2-pyridinyl)acetate
SMILESCC.COC(=O)Cc1cc(C)ccn1
InChIInChI=1S/C9H11NO2.C2H6/c1-7-3-4-10-8(5-7)6-9(11)12-2;1-2/h3-5H,6H2,1-2H3;1-2H3
InChIKeyJKFFTHWCSXVSJA-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.13
Rot. Bonds2

About ethane;methyl 2-(4-methyl-2-pyridinyl)acetate

ethane;methyl 2-(4-methyl-2-pyridinyl)acetate (PubChem CID 144506268) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethane;methyl 2-(4-methyl-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethane;methyl 2-(4-methyl-2-pyridinyl)acetate
PubChem CID144506268
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethane;methyl 2-(4-methyl-2-pyridinyl)acetate
SMILESCC.COC(=O)Cc1cc(C)ccn1
InChIInChI=1S/C9H11NO2.C2H6/c1-7-3-4-10-8(5-7)6-9(11)12-2;1-2/h3-5H,6H2,1-2H3;1-2H3
InChIKeyJKFFTHWCSXVSJA-UHFFFAOYSA-N
XLogP2.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate
CID 158412826
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663
(4-methyl-2-pyridinyl)methylcarbamic acid
CID 155229563
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
methyl 2-[4-(oxan-4-yl)-2-pyridinyl]acetate
CID 118627337
CID 154597608
CID 154597608
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
N-[(4-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82593929
(4-methyl-2-pyridinyl)methanol;hydrobromide
CID 133055836
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
methyl 2-[ethyl-(4-methyl-2-pyridinyl)amino]acetate
CID 62005209

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(4-methyl-2-pyridinyl)acetate?
The IUPAC name of ethane;methyl 2-(4-methyl-2-pyridinyl)acetate (CID 144506268) is ethane;methyl 2-(4-methyl-2-pyridinyl)acetate.
What is the SMILES notation for ethane;methyl 2-(4-methyl-2-pyridinyl)acetate?
The canonical SMILES for ethane;methyl 2-(4-methyl-2-pyridinyl)acetate is CC.COC(=O)Cc1cc(C)ccn1.
What is the InChIKey of ethane;methyl 2-(4-methyl-2-pyridinyl)acetate?
The InChIKey is JKFFTHWCSXVSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H6/c1-7-3-4-10-8(5-7)6-9(11)12-2;1-2/h3-5H,6H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-(4-methyl-2-pyridinyl)acetate?
ethane;methyl 2-(4-methyl-2-pyridinyl)acetate has a molecular weight of 195.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(4-methyl-2-pyridinyl)acetate is sourced from PubChem (CID 144506268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).