2-methylprop-1-ene;pyridine;hydrochloride

C9H14ClN — CID 173452236

IUPAC2-methylprop-1-ene;pyridine;hydrochloride
SMILESC=C(C)C.Cl.c1ccncc1
InChIInChI=1S/C5H5N.C4H8.ClH/c1-2-4-6-5-3-1;1-4(2)3;/h1-5H;1H2,2-3H3;1H
InChIKeyGFVYDIXHZWWLDM-UHFFFAOYSA-N
MW171.67 g/mol
LogP3.09
Rot. Bonds

About 2-methylprop-1-ene;pyridine;hydrochloride

2-methylprop-1-ene;pyridine;hydrochloride (PubChem CID 173452236) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is 2-methylprop-1-ene;pyridine;hydrochloride.

Molecular Properties

Compound Name2-methylprop-1-ene;pyridine;hydrochloride
PubChem CID173452236
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name2-methylprop-1-ene;pyridine;hydrochloride
SMILESC=C(C)C.Cl.c1ccncc1
InChIInChI=1S/C5H5N.C4H8.ClH/c1-2-4-6-5-3-1;1-4(2)3;/h1-5H;1H2,2-3H3;1H
InChIKeyGFVYDIXHZWWLDM-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-1-ene;pyridine
CID 160671535
bis(pyridine);hydrochloride
CID 68793121
CID 174943555
CID 174943555
astatane;pyridine;hydrochloride
CID 174929298
pyridine;zirconium;hydrochloride
CID 175285964
CID 173412563
CID 173412563
neodymium;pyridine;trihydrochloride
CID 175284966
pyridine;hydrobromide;hydrochloride
CID 67599995
bis(pyridine);zinc;hydrochloride
CID 67732663
bis(pyridine);hydrate;hydrochloride
CID 173340794
1,5-diazecine
CID 53440348
pyridine
CID 67755510

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;pyridine;hydrochloride?
The IUPAC name of 2-methylprop-1-ene;pyridine;hydrochloride (CID 173452236) is 2-methylprop-1-ene;pyridine;hydrochloride.
What is the SMILES notation for 2-methylprop-1-ene;pyridine;hydrochloride?
The canonical SMILES for 2-methylprop-1-ene;pyridine;hydrochloride is C=C(C)C.Cl.c1ccncc1.
What is the InChIKey of 2-methylprop-1-ene;pyridine;hydrochloride?
The InChIKey is GFVYDIXHZWWLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H8.ClH/c1-2-4-6-5-3-1;1-4(2)3;/h1-5H;1H2,2-3H3;1H.
What are the key properties of 2-methylprop-1-ene;pyridine;hydrochloride?
2-methylprop-1-ene;pyridine;hydrochloride has a molecular weight of 171.67 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;pyridine;hydrochloride is sourced from PubChem (CID 173452236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).