methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride

C8H13ClFNO2 — CID 171478932

IUPACmethyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@]1(C)CNCC=C1F.Cl
InChIInChI=1S/C8H12FNO2.ClH/c1-8(7(11)12-2)5-10-4-3-6(8)9;/h3,10H,4-5H2,1-2H3;1H/t8-;/m1./s1
InChIKeyWLNQYMVNUSMPGH-DDWIOCJRSA-N
MW209.65 g/mol
LogP1.04
Rot. Bonds1

About methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride

methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride (PubChem CID 171478932) has the molecular formula C8H13ClFNO2 and a molecular weight of 209.65 g/mol. Its IUPAC name is methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride
PubChem CID171478932
Molecular FormulaC8H13ClFNO2
Molecular Weight209.65 g/mol
Exact Mass209.06
IUPAC Namemethyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)[C@]1(C)CNCC=C1F.Cl
InChIInChI=1S/C8H12FNO2.ClH/c1-8(7(11)12-2)5-10-4-3-6(8)9;/h3,10H,4-5H2,1-2H3;1H/t8-;/m1./s1
InChIKeyWLNQYMVNUSMPGH-DDWIOCJRSA-N
XLogP1.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride (CID 171478932) is methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride is COC(=O)[C@]1(C)CNCC=C1F.Cl.
What is the InChIKey of methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride?
The InChIKey is WLNQYMVNUSMPGH-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H12FNO2.ClH/c1-8(7(11)12-2)5-10-4-3-6(8)9;/h3,10H,4-5H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride?
methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride has a molecular weight of 209.65 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-4-fluoro-3-methyl-2,6-dihydro-1H-pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 171478932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).