acetic acid;ethane;pyridine

C9H15NO2 — CID 91392032

IUPACacetic acid;ethane;pyridine
SMILESCC.CC(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.C2H4O2.C2H6/c1-2-4-6-5-3-1;1-2(3)4;1-2/h1-5H;1H3,(H,3,4);1-2H3
InChIKeyUZNHUJFFYLUVQY-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.20
Rot. Bonds

About acetic acid;ethane;pyridine

acetic acid;ethane;pyridine (PubChem CID 91392032) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is acetic acid;ethane;pyridine.

Molecular Properties

Compound Nameacetic acid;ethane;pyridine
PubChem CID91392032
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameacetic acid;ethane;pyridine
SMILESCC.CC(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.C2H4O2.C2H6/c1-2-4-6-5-3-1;1-2(3)4;1-2/h1-5H;1H3,(H,3,4);1-2H3
InChIKeyUZNHUJFFYLUVQY-UHFFFAOYSA-N
XLogP2.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174943555

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethane;pyridine?
The IUPAC name of acetic acid;ethane;pyridine (CID 91392032) is acetic acid;ethane;pyridine.
What is the SMILES notation for acetic acid;ethane;pyridine?
The canonical SMILES for acetic acid;ethane;pyridine is CC.CC(=O)O.c1ccncc1.
What is the InChIKey of acetic acid;ethane;pyridine?
The InChIKey is UZNHUJFFYLUVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C2H4O2.C2H6/c1-2-4-6-5-3-1;1-2(3)4;1-2/h1-5H;1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;ethane;pyridine?
acetic acid;ethane;pyridine has a molecular weight of 169.22 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethane;pyridine is sourced from PubChem (CID 91392032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).