2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride

C9H11Cl2N — CID 19985812

IUPAC2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride
SMILESCc1cccc(/C=C/CCl)n1.Cl
InChIInChI=1S/C9H10ClN.ClH/c1-8-4-2-5-9(11-8)6-3-7-10;/h2-6H,7H2,1H3;1H/b6-3+;
InChIKeyYWZRBOXYYKZVHH-ZIKNSQGESA-N
MW204.10 g/mol
LogP3.06
Rot. Bonds2

About 2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride

2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride (PubChem CID 19985812) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride
PubChem CID19985812
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride
SMILESCc1cccc(/C=C/CCl)n1.Cl
InChIInChI=1S/C9H10ClN.ClH/c1-8-4-2-5-9(11-8)6-3-7-10;/h2-6H,7H2,1H3;1H/b6-3+;
InChIKeyYWZRBOXYYKZVHH-ZIKNSQGESA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride?
The IUPAC name of 2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride (CID 19985812) is 2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride.
What is the SMILES notation for 2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride?
The canonical SMILES for 2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride is Cc1cccc(/C=C/CCl)n1.Cl.
What is the InChIKey of 2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride?
The InChIKey is YWZRBOXYYKZVHH-ZIKNSQGESA-N. The full InChI is InChI=1S/C9H10ClN.ClH/c1-8-4-2-5-9(11-8)6-3-7-10;/h2-6H,7H2,1H3;1H/b6-3+;.
What are the key properties of 2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride?
2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride has a molecular weight of 204.10 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride is sourced from PubChem (CID 19985812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).