(2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine

C7H10FN — CID 165034440

IUPAC(2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine
SMILESC[C@@H]1N=CC=C(F)[C@@H]1C
InChIInChI=1S/C7H10FN/c1-5-6(2)9-4-3-7(5)8/h3-6H,1-2H3/t5-,6+/m1/s1
InChIKeyNDWKJMHTTGDGAX-RITPCOANSA-N
MW127.16 g/mol
LogP1.95
Rot. Bonds

About (2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine

(2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine (PubChem CID 165034440) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine
PubChem CID165034440
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine
SMILESC[C@@H]1N=CC=C(F)[C@@H]1C
InChIInChI=1S/C7H10FN/c1-5-6(2)9-4-3-7(5)8/h3-6H,1-2H3/t5-,6+/m1/s1
InChIKeyNDWKJMHTTGDGAX-RITPCOANSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2,3-dihydropyridine
CID 21652564
2,2-Dimethyl-2,3-dihydropyridine
CID 91431547
(2S)-5-fluoro-2-methyl-2,3-dihydropyridine
CID 67991616
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
CID 67991667
2-Fluoro-3-methyl-2,3-dihydropyridine
CID 68374972
5-Fluoro-2-methyl-2,3-dihydropyridine
CID 77393448
2-Ethyl-5-fluoro-2,3-dihydropyridine
CID 89742590
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
3-Fluoro-4,6-dimethyl-3,4-dihydropyridine
CID 129196332
3-Fluoro-2,5-dimethyl-2,3-dihydropyridine
CID 141929354
5-Propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine
CID 142093065
5-Fluoro-3-methyl-2,3-dihydropyridine
CID 143818517

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine?
The IUPAC name of (2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine (CID 165034440) is (2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for (2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine?
The canonical SMILES for (2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine is C[C@@H]1N=CC=C(F)[C@@H]1C.
What is the InChIKey of (2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine?
The InChIKey is NDWKJMHTTGDGAX-RITPCOANSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-6(2)9-4-3-7(5)8/h3-6H,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine?
(2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-fluoro-2,3-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 165034440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).