6-chloro-3-methyl-1,2,3,4-tetrahydropyridine

C6H10ClN — CID 89209285

IUPAC6-chloro-3-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CC=C(Cl)NC1
InChIInChI=1S/C6H10ClN/c1-5-2-3-6(7)8-4-5/h3,5,8H,2,4H2,1H3
InChIKeyKWRBBEGNZSVJPH-UHFFFAOYSA-N
MW131.61 g/mol
LogP1.70
Rot. Bonds

About 6-chloro-3-methyl-1,2,3,4-tetrahydropyridine

6-chloro-3-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 89209285) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 6-chloro-3-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-chloro-3-methyl-1,2,3,4-tetrahydropyridine
PubChem CID89209285
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name6-chloro-3-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CC=C(Cl)NC1
InChIInChI=1S/C6H10ClN/c1-5-2-3-6(7)8-4-5/h3,5,8H,2,4H2,1H3
InChIKeyKWRBBEGNZSVJPH-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-chloro-3-methyl-1,2,3,4-tetrahydropyridine (CID 89209285) is 6-chloro-3-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-chloro-3-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-chloro-3-methyl-1,2,3,4-tetrahydropyridine is CC1CC=C(Cl)NC1.
What is the InChIKey of 6-chloro-3-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is KWRBBEGNZSVJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN/c1-5-2-3-6(7)8-4-5/h3,5,8H,2,4H2,1H3.
What are the key properties of 6-chloro-3-methyl-1,2,3,4-tetrahydropyridine?
6-chloro-3-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 131.61 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 89209285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).