acetic acid;2,3-dimethylpyridine

C9H13NO2 — CID 71415776

IUPACacetic acid;2,3-dimethylpyridine
SMILESCC(=O)O.Cc1cccnc1C
InChIInChI=1S/C7H9N.C2H4O2/c1-6-4-3-5-8-7(6)2;1-2(3)4/h3-5H,1-2H3;1H3,(H,3,4)
InChIKeyDTFOIYPZPIQJCV-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.79
Rot. Bonds

About acetic acid;2,3-dimethylpyridine

acetic acid;2,3-dimethylpyridine (PubChem CID 71415776) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is acetic acid;2,3-dimethylpyridine.

Molecular Properties

Compound Nameacetic acid;2,3-dimethylpyridine
PubChem CID71415776
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameacetic acid;2,3-dimethylpyridine
SMILESCC(=O)O.Cc1cccnc1C
InChIInChI=1S/C7H9N.C2H4O2/c1-6-4-3-5-8-7(6)2;1-2(3)4/h3-5H,1-2H3;1H3,(H,3,4)
InChIKeyDTFOIYPZPIQJCV-UHFFFAOYSA-N
XLogP1.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2,3-dimethylpyridine?
The IUPAC name of acetic acid;2,3-dimethylpyridine (CID 71415776) is acetic acid;2,3-dimethylpyridine.
What is the SMILES notation for acetic acid;2,3-dimethylpyridine?
The canonical SMILES for acetic acid;2,3-dimethylpyridine is CC(=O)O.Cc1cccnc1C.
What is the InChIKey of acetic acid;2,3-dimethylpyridine?
The InChIKey is DTFOIYPZPIQJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C2H4O2/c1-6-4-3-5-8-7(6)2;1-2(3)4/h3-5H,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2,3-dimethylpyridine?
acetic acid;2,3-dimethylpyridine has a molecular weight of 167.21 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,3-dimethylpyridine is sourced from PubChem (CID 71415776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).