(3S)-6-chloro-3-methyl-2,3-dihydropyridine

C6H8ClN — CID 89245175

IUPAC(3S)-6-chloro-3-methyl-2,3-dihydropyridine
SMILESC[C@H]1C=CC(Cl)=NC1
InChIInChI=1S/C6H8ClN/c1-5-2-3-6(7)8-4-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyPIWRYNSAPWRSJJ-YFKPBYRVSA-N
MW129.59 g/mol
LogP1.83
Rot. Bonds

About (3S)-6-chloro-3-methyl-2,3-dihydropyridine

(3S)-6-chloro-3-methyl-2,3-dihydropyridine (PubChem CID 89245175) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is (3S)-6-chloro-3-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(3S)-6-chloro-3-methyl-2,3-dihydropyridine
PubChem CID89245175
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name(3S)-6-chloro-3-methyl-2,3-dihydropyridine
SMILESC[C@H]1C=CC(Cl)=NC1
InChIInChI=1S/C6H8ClN/c1-5-2-3-6(7)8-4-5/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyPIWRYNSAPWRSJJ-YFKPBYRVSA-N
XLogP1.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-3-methyl-2,3-dihydropyridine?
The IUPAC name of (3S)-6-chloro-3-methyl-2,3-dihydropyridine (CID 89245175) is (3S)-6-chloro-3-methyl-2,3-dihydropyridine.
What is the SMILES notation for (3S)-6-chloro-3-methyl-2,3-dihydropyridine?
The canonical SMILES for (3S)-6-chloro-3-methyl-2,3-dihydropyridine is C[C@H]1C=CC(Cl)=NC1.
What is the InChIKey of (3S)-6-chloro-3-methyl-2,3-dihydropyridine?
The InChIKey is PIWRYNSAPWRSJJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5-2-3-6(7)8-4-5/h2-3,5H,4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-6-chloro-3-methyl-2,3-dihydropyridine?
(3S)-6-chloro-3-methyl-2,3-dihydropyridine has a molecular weight of 129.59 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-3-methyl-2,3-dihydropyridine is sourced from PubChem (CID 89245175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).