(2S)-3-fluoro-2-methyl-2,3-dihydropyridine

C6H8FN — CID 67991667

IUPAC(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
SMILESC[C@@H]1N=CC=CC1F
InChIInChI=1S/C6H8FN/c1-5-6(7)3-2-4-8-5/h2-6H,1H3/t5-,6?/m0/s1
InChIKeyNKJIRDNPQRTFRO-ZBHICJROSA-N
MW113.13 g/mol
LogP1.35
Rot. Bonds

About (2S)-3-fluoro-2-methyl-2,3-dihydropyridine

(2S)-3-fluoro-2-methyl-2,3-dihydropyridine (PubChem CID 67991667) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is (2S)-3-fluoro-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
PubChem CID67991667
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
SMILESC[C@@H]1N=CC=CC1F
InChIInChI=1S/C6H8FN/c1-5-6(7)3-2-4-8-5/h2-6H,1H3/t5-,6?/m0/s1
InChIKeyNKJIRDNPQRTFRO-ZBHICJROSA-N
XLogP1.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-fluoro-2-methyl-2,3-dihydropyridine?
The IUPAC name of (2S)-3-fluoro-2-methyl-2,3-dihydropyridine (CID 67991667) is (2S)-3-fluoro-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for (2S)-3-fluoro-2-methyl-2,3-dihydropyridine?
The canonical SMILES for (2S)-3-fluoro-2-methyl-2,3-dihydropyridine is C[C@@H]1N=CC=CC1F.
What is the InChIKey of (2S)-3-fluoro-2-methyl-2,3-dihydropyridine?
The InChIKey is NKJIRDNPQRTFRO-ZBHICJROSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-6(7)3-2-4-8-5/h2-6H,1H3/t5-,6?/m0/s1.
What are the key properties of (2S)-3-fluoro-2-methyl-2,3-dihydropyridine?
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine has a molecular weight of 113.13 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-fluoro-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 67991667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).