methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate

C10H16FNO2 — CID 171479063

IUPACmethyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate
SMILESCCN1CC=C(F)[C@](C)(C(=O)OC)C1
InChIInChI=1S/C10H16FNO2/c1-4-12-6-5-8(11)10(2,7-12)9(13)14-3/h5H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKeyHHMLNGIIMFYKSE-SNVBAGLBSA-N
MW201.24 g/mol
LogP1.35
Rot. Bonds2

About methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate

methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate (PubChem CID 171479063) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate
PubChem CID171479063
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Namemethyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate
SMILESCCN1CC=C(F)[C@](C)(C(=O)OC)C1
InChIInChI=1S/C10H16FNO2/c1-4-12-6-5-8(11)10(2,7-12)9(13)14-3/h5H,4,6-7H2,1-3H3/t10-/m1/s1
InChIKeyHHMLNGIIMFYKSE-SNVBAGLBSA-N
XLogP1.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-methyl-1,2,3,6-tetrahydropyridine-3-carboxylate
CID 10888134
1-O-tert-butyl 3-O-methyl (3S)-4-fluoro-3-methyl-2,6-dihydropyridine-1,3-dicarboxylate
CID 170959090
methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate
CID 171478933
propyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-carboxylate
CID 24844776
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethylpropanoic acid
CID 131010588
methyl 3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanoate
CID 68185763
Methyl 1,3-dimethyl-2,6-dihydropyridine-3-carboxylate
CID 86138917
methyl 1-ethyl-3,6-dihydro-2H-pyridine-3-carboxylate
CID 91025890
ethane;methyl 3-(3,6-dihydro-2H-pyridin-1-yl)propanoate
CID 144633019
methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride
CID 171478932

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate?
The IUPAC name of methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate (CID 171479063) is methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate is CCN1CC=C(F)[C@](C)(C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate?
The InChIKey is HHMLNGIIMFYKSE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-4-12-6-5-8(11)10(2,7-12)9(13)14-3/h5H,4,6-7H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate?
methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate has a molecular weight of 201.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-ethyl-4-fluoro-3-methyl-2,6-dihydropyridine-3-carboxylate is sourced from PubChem (CID 171479063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).