1-ethyl-3-methyl-2H-pyridine;hydrochloride

C8H14ClN — CID 172849708

IUPAC1-ethyl-3-methyl-2H-pyridine;hydrochloride
SMILESCCN1C=CC=C(C)C1.Cl
InChIInChI=1S/C8H13N.ClH/c1-3-9-6-4-5-8(2)7-9;/h4-6H,3,7H2,1-2H3;1H
InChIKeyXXCVDLQFABUBDY-UHFFFAOYSA-N
MW159.66 g/mol
LogP2.20
Rot. Bonds1

About 1-ethyl-3-methyl-2H-pyridine;hydrochloride

1-ethyl-3-methyl-2H-pyridine;hydrochloride (PubChem CID 172849708) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-pyridine;hydrochloride
PubChem CID172849708
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name1-ethyl-3-methyl-2H-pyridine;hydrochloride
SMILESCCN1C=CC=C(C)C1.Cl
InChIInChI=1S/C8H13N.ClH/c1-3-9-6-4-5-8(2)7-9;/h4-6H,3,7H2,1-2H3;1H
InChIKeyXXCVDLQFABUBDY-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-pyridine;hydrochloride?
The IUPAC name of 1-ethyl-3-methyl-2H-pyridine;hydrochloride (CID 172849708) is 1-ethyl-3-methyl-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-ethyl-3-methyl-2H-pyridine;hydrochloride?
The canonical SMILES for 1-ethyl-3-methyl-2H-pyridine;hydrochloride is CCN1C=CC=C(C)C1.Cl.
What is the InChIKey of 1-ethyl-3-methyl-2H-pyridine;hydrochloride?
The InChIKey is XXCVDLQFABUBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.ClH/c1-3-9-6-4-5-8(2)7-9;/h4-6H,3,7H2,1-2H3;1H.
What are the key properties of 1-ethyl-3-methyl-2H-pyridine;hydrochloride?
1-ethyl-3-methyl-2H-pyridine;hydrochloride has a molecular weight of 159.66 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-pyridine;hydrochloride is sourced from PubChem (CID 172849708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).