(2R,3R)-2,3-dimethyl-2,3-dihydropyridine

C7H11N — CID 59584701

IUPAC(2R,3R)-2,3-dimethyl-2,3-dihydropyridine
SMILESC[C@@H]1C=CC=N[C@@H]1C
InChIInChI=1S/C7H11N/c1-6-4-3-5-8-7(6)2/h3-7H,1-2H3/t6-,7-/m1/s1
InChIKeyWMHRLCGQEILUCD-RNFRBKRXSA-N
MW109.17 g/mol
LogP1.65
Rot. Bonds

About (2R,3R)-2,3-dimethyl-2,3-dihydropyridine

(2R,3R)-2,3-dimethyl-2,3-dihydropyridine (PubChem CID 59584701) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethyl-2,3-dihydropyridine
PubChem CID59584701
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(2R,3R)-2,3-dimethyl-2,3-dihydropyridine
SMILESC[C@@H]1C=CC=N[C@@H]1C
InChIInChI=1S/C7H11N/c1-6-4-3-5-8-7(6)2/h3-7H,1-2H3/t6-,7-/m1/s1
InChIKeyWMHRLCGQEILUCD-RNFRBKRXSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2,3-dihydropyridine
CID 21652564
2,3-Diethyl-2,3-dihydropyridine
CID 53814937
3Hlutidine
CID 54235887
2,2-Dimethyl-2,3-dihydropyridine
CID 91431547
3,3-Dimethylpyridine
CID 129722078
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
CID 67991667
2-Fluoro-3-methyl-2,3-dihydropyridine
CID 68374972
(2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine
CID 165034440
(2R)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 166894121
3-Fluoro-2-propan-2-yl-2,3-dihydropyridine
CID 144060454
2-Methyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 154555451
2,3-Dimethyl-2,3-dihydropyridine
CID 19937065

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethyl-2,3-dihydropyridine?
The IUPAC name of (2R,3R)-2,3-dimethyl-2,3-dihydropyridine (CID 59584701) is (2R,3R)-2,3-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for (2R,3R)-2,3-dimethyl-2,3-dihydropyridine?
The canonical SMILES for (2R,3R)-2,3-dimethyl-2,3-dihydropyridine is C[C@@H]1C=CC=N[C@@H]1C.
What is the InChIKey of (2R,3R)-2,3-dimethyl-2,3-dihydropyridine?
The InChIKey is WMHRLCGQEILUCD-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H11N/c1-6-4-3-5-8-7(6)2/h3-7H,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-2,3-dimethyl-2,3-dihydropyridine?
(2R,3R)-2,3-dimethyl-2,3-dihydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 59584701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).