methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate

C14H15F2NO2 — CID 102473078

IUPACmethyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)N[C@H](c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H15F2NO2/c1-8-10(14(18)19-2)5-6-13(17-8)11-4-3-9(15)7-12(11)16/h3-4,7,13,17H,5-6H2,1-2H3/t13-/m0/s1
InChIKeyIEFOAWFSYDCFFI-ZDUSSCGKSA-N
MW267.27 g/mol
LogP2.84
Rot. Bonds2

About methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate

methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate (PubChem CID 102473078) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate
PubChem CID102473078
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Namemethyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)N[C@H](c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H15F2NO2/c1-8-10(14(18)19-2)5-6-13(17-8)11-4-3-9(15)7-12(11)16/h3-4,7,13,17H,5-6H2,1-2H3/t13-/m0/s1
InChIKeyIEFOAWFSYDCFFI-ZDUSSCGKSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3123384
Methyl butanoate;methyl 4-(2-fluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate
CID 44318428
methyl (Z)-3-(benzylamino)-2-[(4-fluorophenyl)-(methoxycarbonylamino)methyl]but-2-enoate
CID 16758994
methyl 3-(benzylamino)-2-[(S)-(3-fluorophenyl)-(methoxycarbonylamino)methyl]but-2-enoate
CID 49858694
Ethyl 4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 602920
Methyl 4-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 603045
Methyl 4-(2-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2831295
methyl (4S)-4-(3,4-difluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8871448
methyl (4S)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10588944
methyl (4R)-4-(3,4-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 40973053
Methyl 4-(2,5-difluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2898382
Ethyl 4-(2,4-difluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2860065

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate?
The IUPAC name of methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate (CID 102473078) is methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate.
What is the SMILES notation for methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate?
The canonical SMILES for methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate is COC(=O)C1=C(C)N[C@H](c2ccc(F)cc2F)CC1.
What is the InChIKey of methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate?
The InChIKey is IEFOAWFSYDCFFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-8-10(14(18)19-2)5-6-13(17-8)11-4-3-9(15)7-12(11)16/h3-4,7,13,17H,5-6H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate?
methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate has a molecular weight of 267.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2,4-difluorophenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carboxylate is sourced from PubChem (CID 102473078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).