acetic acid;2-ethylpyridine

C9H13NO2 — CID 70072313

IUPACacetic acid;2-ethylpyridine
SMILESCC(=O)O.CCc1ccccn1
InChIInChI=1S/C7H9N.C2H4O2/c1-2-7-5-3-4-6-8-7;1-2(3)4/h3-6H,2H2,1H3;1H3,(H,3,4)
InChIKeyIQZYFYFPIDNTKT-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.73
Rot. Bonds1

About acetic acid;2-ethylpyridine

acetic acid;2-ethylpyridine (PubChem CID 70072313) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is acetic acid;2-ethylpyridine.

Molecular Properties

Compound Nameacetic acid;2-ethylpyridine
PubChem CID70072313
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameacetic acid;2-ethylpyridine
SMILESCC(=O)O.CCc1ccccn1
InChIInChI=1S/C7H9N.C2H4O2/c1-2-7-5-3-4-6-8-7;1-2(3)4/h3-6H,2H2,1H3;1H3,(H,3,4)
InChIKeyIQZYFYFPIDNTKT-UHFFFAOYSA-N
XLogP1.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethylpyridine;propan-2-one
CID 91062133
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CID 67363352
ethane;2-ethylpyridine
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2-ethylpyridine;sulfurous acid
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acetic acid;2-propylpyridine;hydrobromide
CID 70094168
acetylene;2-ethylpyridine
CID 145358493
ethane;2-ethylpyridine;methane
CID 142439308
acetic acid;2-(chloromethyl)pyridine
CID 174751578
2-ethylpyridine;methanesulfonic acid
CID 86038816
acetic acid;pyridin-2-ylmethanethiol
CID 20560339
acetic acid;2-(methylsulfonylmethyl)pyridine
CID 174445775
2-ethylpyridine;2-methylpyridine
CID 19020939

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-ethylpyridine?
The IUPAC name of acetic acid;2-ethylpyridine (CID 70072313) is acetic acid;2-ethylpyridine.
What is the SMILES notation for acetic acid;2-ethylpyridine?
The canonical SMILES for acetic acid;2-ethylpyridine is CC(=O)O.CCc1ccccn1.
What is the InChIKey of acetic acid;2-ethylpyridine?
The InChIKey is IQZYFYFPIDNTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H4O2/c1-2-7-5-3-4-6-8-7;1-2(3)4/h3-6H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-ethylpyridine?
acetic acid;2-ethylpyridine has a molecular weight of 167.21 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-ethylpyridine is sourced from PubChem (CID 70072313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).