ethane;4-ethylbenzoic acid;pyridine

C16H21NO2 — CID 90933398

IUPACethane;4-ethylbenzoic acid;pyridine
SMILESCC.CCc1ccc(C(=O)O)cc1.c1ccncc1
InChIInChI=1S/C9H10O2.C5H5N.C2H6/c1-2-7-3-5-8(6-4-7)9(10)11;1-2-4-6-5-3-1;1-2/h3-6H,2H2,1H3,(H,10,11);1-5H;1-2H3
InChIKeyCSCQMHWLFNSNHV-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.05
Rot. Bonds2

About ethane;4-ethylbenzoic acid;pyridine

ethane;4-ethylbenzoic acid;pyridine (PubChem CID 90933398) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethane;4-ethylbenzoic acid;pyridine.

Molecular Properties

Compound Nameethane;4-ethylbenzoic acid;pyridine
PubChem CID90933398
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nameethane;4-ethylbenzoic acid;pyridine
SMILESCC.CCc1ccc(C(=O)O)cc1.c1ccncc1
InChIInChI=1S/C9H10O2.C5H5N.C2H6/c1-2-7-3-5-8(6-4-7)9(10)11;1-2-4-6-5-3-1;1-2/h3-6H,2H2,1H3,(H,10,11);1-5H;1-2H3
InChIKeyCSCQMHWLFNSNHV-UHFFFAOYSA-N
XLogP4.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethylbenzoic acid;pyridine?
The IUPAC name of ethane;4-ethylbenzoic acid;pyridine (CID 90933398) is ethane;4-ethylbenzoic acid;pyridine.
What is the SMILES notation for ethane;4-ethylbenzoic acid;pyridine?
The canonical SMILES for ethane;4-ethylbenzoic acid;pyridine is CC.CCc1ccc(C(=O)O)cc1.c1ccncc1.
What is the InChIKey of ethane;4-ethylbenzoic acid;pyridine?
The InChIKey is CSCQMHWLFNSNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C5H5N.C2H6/c1-2-7-3-5-8(6-4-7)9(10)11;1-2-4-6-5-3-1;1-2/h3-6H,2H2,1H3,(H,10,11);1-5H;1-2H3.
What are the key properties of ethane;4-ethylbenzoic acid;pyridine?
ethane;4-ethylbenzoic acid;pyridine has a molecular weight of 259.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethylbenzoic acid;pyridine is sourced from PubChem (CID 90933398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).