2-chloro-6-methyl-1,2-dihydropyridine

C6H8ClN — CID 18444012

IUPAC2-chloro-6-methyl-1,2-dihydropyridine
SMILESCC1=CC=CC(Cl)N1
InChIInChI=1S/C6H8ClN/c1-5-3-2-4-6(7)8-5/h2-4,6,8H,1H3
InChIKeyQZYBOPCRDHQVPP-UHFFFAOYSA-N
MW129.59 g/mol
LogP1.61
Rot. Bonds

About 2-chloro-6-methyl-1,2-dihydropyridine

2-chloro-6-methyl-1,2-dihydropyridine (PubChem CID 18444012) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is 2-chloro-6-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-1,2-dihydropyridine
PubChem CID18444012
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name2-chloro-6-methyl-1,2-dihydropyridine
SMILESCC1=CC=CC(Cl)N1
InChIInChI=1S/C6H8ClN/c1-5-3-2-4-6(7)8-5/h2-4,6,8H,1H3
InChIKeyQZYBOPCRDHQVPP-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-1,2-dihydropyridine?
The IUPAC name of 2-chloro-6-methyl-1,2-dihydropyridine (CID 18444012) is 2-chloro-6-methyl-1,2-dihydropyridine.
What is the SMILES notation for 2-chloro-6-methyl-1,2-dihydropyridine?
The canonical SMILES for 2-chloro-6-methyl-1,2-dihydropyridine is CC1=CC=CC(Cl)N1.
What is the InChIKey of 2-chloro-6-methyl-1,2-dihydropyridine?
The InChIKey is QZYBOPCRDHQVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5-3-2-4-6(7)8-5/h2-4,6,8H,1H3.
What are the key properties of 2-chloro-6-methyl-1,2-dihydropyridine?
2-chloro-6-methyl-1,2-dihydropyridine has a molecular weight of 129.59 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-1,2-dihydropyridine is sourced from PubChem (CID 18444012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).