carbon dioxide;3-ethyl-2,5-dimethylpyridine

C10H13NO2 — CID 163884675

IUPACcarbon dioxide;3-ethyl-2,5-dimethylpyridine
SMILESCCc1cc(C)cnc1C.O=C=O
InChIInChI=1S/C9H13N.CO2/c1-4-9-5-7(2)6-10-8(9)3;2-1-3/h5-6H,4H2,1-3H3;
InChIKeyPWHYMDAHWIUYER-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.68
Rot. Bonds1

About carbon dioxide;3-ethyl-2,5-dimethylpyridine

carbon dioxide;3-ethyl-2,5-dimethylpyridine (PubChem CID 163884675) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is carbon dioxide;3-ethyl-2,5-dimethylpyridine.

Molecular Properties

Compound Namecarbon dioxide;3-ethyl-2,5-dimethylpyridine
PubChem CID163884675
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namecarbon dioxide;3-ethyl-2,5-dimethylpyridine
SMILESCCc1cc(C)cnc1C.O=C=O
InChIInChI=1S/C9H13N.CO2/c1-4-9-5-7(2)6-10-8(9)3;2-1-3/h5-6H,4H2,1-3H3;
InChIKeyPWHYMDAHWIUYER-UHFFFAOYSA-N
XLogP1.68
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2,5-dimethylpyridine
CID 528719
3-ethyl-5-fluoro-2-methylpyridine
CID 118913219
3-but-3-enyl-2,5-dimethylpyridine
CID 143845361
5-ethyl-6-methylpyridine-3-sulfonic acid
CID 59306284
2,5-dimethyl-3-methylsulfanylpyridine
CID 59938108
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine
CID 58484627
2,5-dimethylpyridine-3-carbaldehyde
CID 18731661
carbanide;2,3,5-trimethylpyridine;yttrium
CID 161357475
N-[(2,5-dimethyl-3-pyridinyl)methyl]-2-hydroxy-2-phenylbutanamide
CID 143155991
5-ethenyl-3-ethyl-2-methylpyridine;methane;pyridine
CID 174840811
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride
CID 67380857
3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one
CID 118005009

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-ethyl-2,5-dimethylpyridine?
The IUPAC name of carbon dioxide;3-ethyl-2,5-dimethylpyridine (CID 163884675) is carbon dioxide;3-ethyl-2,5-dimethylpyridine.
What is the SMILES notation for carbon dioxide;3-ethyl-2,5-dimethylpyridine?
The canonical SMILES for carbon dioxide;3-ethyl-2,5-dimethylpyridine is CCc1cc(C)cnc1C.O=C=O.
What is the InChIKey of carbon dioxide;3-ethyl-2,5-dimethylpyridine?
The InChIKey is PWHYMDAHWIUYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.CO2/c1-4-9-5-7(2)6-10-8(9)3;2-1-3/h5-6H,4H2,1-3H3;.
What are the key properties of carbon dioxide;3-ethyl-2,5-dimethylpyridine?
carbon dioxide;3-ethyl-2,5-dimethylpyridine has a molecular weight of 179.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-ethyl-2,5-dimethylpyridine is sourced from PubChem (CID 163884675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).