ethane;3-methylpyridine;hydroiodide

C8H14IN — CID 143140941

IUPACethane;3-methylpyridine;hydroiodide
SMILESCC.Cc1cccnc1.I
InChIInChI=1S/C6H7N.C2H6.HI/c1-6-3-2-4-7-5-6;1-2;/h2-5H,1H3;1-2H3;1H
InChIKeyNOTDJFQWMGAYOU-UHFFFAOYSA-N
MW251.11 g/mol
LogP3.03
Rot. Bonds

About ethane;3-methylpyridine;hydroiodide

ethane;3-methylpyridine;hydroiodide (PubChem CID 143140941) has the molecular formula C8H14IN and a molecular weight of 251.11 g/mol. Its IUPAC name is ethane;3-methylpyridine;hydroiodide.

Molecular Properties

Compound Nameethane;3-methylpyridine;hydroiodide
PubChem CID143140941
Molecular FormulaC8H14IN
Molecular Weight251.11 g/mol
Exact Mass251.02
IUPAC Nameethane;3-methylpyridine;hydroiodide
SMILESCC.Cc1cccnc1.I
InChIInChI=1S/C6H7N.C2H6.HI/c1-6-3-2-4-7-5-6;1-2;/h2-5H,1H3;1-2H3;1H
InChIKeyNOTDJFQWMGAYOU-UHFFFAOYSA-N
XLogP3.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
N,N-dimethylmethanamine;ethane;3-methylpyridine
CID 142096313
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride
CID 119057635
3-methylpyridine;4-methylpyridine
CID 21425791
3-chloropyridine;3-methylpyridine
CID 174960532
methoxyethane;3-methylpyridine
CID 144662760
boric acid;3-methylpyridine;tetrafluoroborate
CID 174506250
ethane;2-fluoro-4-methylpyridine;3-methylpyridine
CID 143665793

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylpyridine;hydroiodide?
The IUPAC name of ethane;3-methylpyridine;hydroiodide (CID 143140941) is ethane;3-methylpyridine;hydroiodide.
What is the SMILES notation for ethane;3-methylpyridine;hydroiodide?
The canonical SMILES for ethane;3-methylpyridine;hydroiodide is CC.Cc1cccnc1.I.
What is the InChIKey of ethane;3-methylpyridine;hydroiodide?
The InChIKey is NOTDJFQWMGAYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C2H6.HI/c1-6-3-2-4-7-5-6;1-2;/h2-5H,1H3;1-2H3;1H.
What are the key properties of ethane;3-methylpyridine;hydroiodide?
ethane;3-methylpyridine;hydroiodide has a molecular weight of 251.11 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylpyridine;hydroiodide is sourced from PubChem (CID 143140941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).