6-chloro-4-methyl-1,2-dihydropyridine

C6H8ClN — CID 19045911

IUPAC6-chloro-4-methyl-1,2-dihydropyridine
SMILESCC1=CCNC(Cl)=C1
InChIInChI=1S/C6H8ClN/c1-5-2-3-8-6(7)4-5/h2,4,8H,3H2,1H3
InChIKeyXMLUQINJQWKACK-UHFFFAOYSA-N
MW129.59 g/mol
LogP1.62
Rot. Bonds

About 6-chloro-4-methyl-1,2-dihydropyridine

6-chloro-4-methyl-1,2-dihydropyridine (PubChem CID 19045911) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is 6-chloro-4-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-chloro-4-methyl-1,2-dihydropyridine
PubChem CID19045911
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name6-chloro-4-methyl-1,2-dihydropyridine
SMILESCC1=CCNC(Cl)=C1
InChIInChI=1S/C6H8ClN/c1-5-2-3-8-6(7)4-5/h2,4,8H,3H2,1H3
InChIKeyXMLUQINJQWKACK-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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-4-methyl-1,2-dihydropyridine?
The IUPAC name of 6-chloro-4-methyl-1,2-dihydropyridine (CID 19045911) is 6-chloro-4-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-chloro-4-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-chloro-4-methyl-1,2-dihydropyridine is CC1=CCNC(Cl)=C1.
What is the InChIKey of 6-chloro-4-methyl-1,2-dihydropyridine?
The InChIKey is XMLUQINJQWKACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5-2-3-8-6(7)4-5/h2,4,8H,3H2,1H3.
What are the key properties of 6-chloro-4-methyl-1,2-dihydropyridine?
6-chloro-4-methyl-1,2-dihydropyridine has a molecular weight of 129.59 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-1,2-dihydropyridine is sourced from PubChem (CID 19045911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).