6-chloro-2-methyl-3,4-dihydropyridine;ethane

C8H14ClN — CID 143745487

IUPAC6-chloro-2-methyl-3,4-dihydropyridine;ethane
SMILESCC.CC1=NC(Cl)=CCC1
InChIInChI=1S/C6H8ClN.C2H6/c1-5-3-2-4-6(7)8-5;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyDIUZHXXSBVUFQS-UHFFFAOYSA-N
MW159.66 g/mol
LogP3.35
Rot. Bonds

About 6-chloro-2-methyl-3,4-dihydropyridine;ethane

6-chloro-2-methyl-3,4-dihydropyridine;ethane (PubChem CID 143745487) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 6-chloro-2-methyl-3,4-dihydropyridine;ethane.

Molecular Properties

Compound Name6-chloro-2-methyl-3,4-dihydropyridine;ethane
PubChem CID143745487
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name6-chloro-2-methyl-3,4-dihydropyridine;ethane
SMILESCC.CC1=NC(Cl)=CCC1
InChIInChI=1S/C6H8ClN.C2H6/c1-5-3-2-4-6(7)8-5;1-2/h4H,2-3H2,1H3;1-2H3
InChIKeyDIUZHXXSBVUFQS-UHFFFAOYSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-ethenyl-2-methyl-3,4-dihydropyridine
CID 123371098
ethane;1-methylcyclobutene
CID 91484029
6-chloro-2,5-dimethyl-3,4-dihydropyridine;ethane
CID 176577412
1-methylcyclobutene;sulfane
CID 90109296
N-[(2-methyl-3,4-dihydropyridin-6-yl)methyl]acetamide
CID 154657038
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene
CID 173123090
8-ethyl-4-methyl-5,6-dihydro-1,3-diazocine
CID 166894802
butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane
CID 145163186
1-(trichloromethyl)cyclobutene
CID 171545567
ethane;5-methylcyclohexa-1,5-dien-1-amine
CID 144692983
2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 14982407

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3,4-dihydropyridine;ethane?
The IUPAC name of 6-chloro-2-methyl-3,4-dihydropyridine;ethane (CID 143745487) is 6-chloro-2-methyl-3,4-dihydropyridine;ethane.
What is the SMILES notation for 6-chloro-2-methyl-3,4-dihydropyridine;ethane?
The canonical SMILES for 6-chloro-2-methyl-3,4-dihydropyridine;ethane is CC.CC1=NC(Cl)=CCC1.
What is the InChIKey of 6-chloro-2-methyl-3,4-dihydropyridine;ethane?
The InChIKey is DIUZHXXSBVUFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN.C2H6/c1-5-3-2-4-6(7)8-5;1-2/h4H,2-3H2,1H3;1-2H3.
What are the key properties of 6-chloro-2-methyl-3,4-dihydropyridine;ethane?
6-chloro-2-methyl-3,4-dihydropyridine;ethane has a molecular weight of 159.66 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3,4-dihydropyridine;ethane is sourced from PubChem (CID 143745487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).