methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate

C19H20FNO2 — CID 143868918

IUPACmethyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate
SMILESC=C1C=CC(C(=O)OC)=CN1/C(=C(/C)CC)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-5-13(2)18(15-8-10-17(20)11-9-15)21-12-16(19(22)23-4)7-6-14(21)3/h6-12H,3,5H2,1-2,4H3/b18-13-
InChIKeyNGBYRHJRAGFFOU-AQTBWJFISA-N
MW313.37 g/mol
LogP4.41
Rot. Bonds4

About methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate

methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate (PubChem CID 143868918) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate
PubChem CID143868918
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Namemethyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate
SMILESC=C1C=CC(C(=O)OC)=CN1/C(=C(/C)CC)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-5-13(2)18(15-8-10-17(20)11-9-15)21-12-16(19(22)23-4)7-6-14(21)3/h6-12H,3,5H2,1-2,4H3/b18-13-
InChIKeyNGBYRHJRAGFFOU-AQTBWJFISA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (E)-3-(1-benzyl-4-oxo-2,3-dihydropyridin-5-yl)prop-2-enoate
CID 44202079
methyl 1-methyl-2-phenyl-2H-pyridine-5-carboxylate
CID 338160
methyl (2R)-1-benzyl-2-(4-fluorophenyl)-2H-pyridine-5-carboxylate
CID 53235710
methyl (6R)-6-(4-fluorophenyl)-1,6-dimethylpyridine-3-carboxylate
CID 154721061
ethyl (E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enoate
CID 11107610
Methyl 1-benzyl-1,4-dihydropyridine-3-carboxylate
CID 13238685
methyl (E)-3-(benzylamino)-3-phenylprop-2-enoate
CID 44513300
ethyl (Z)-2-cyano-3-(diethylamino)-3-(4-fluorophenyl)prop-2-enoate
CID 2113476
methyl (4Z)-1-benzyl-4-(4-fluorobenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 2301157
methyl (4Z)-1-benzyl-4-(2-fluorobenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 6294037
dimethyl (E,4Z)-4-[1-[(4-fluorophenyl)methylamino]ethylidene]pent-2-enedioate
CID 6371650
Methyl 6-oxo-1-[3-(trifluoromethyl)benzyl]-1,6-dihydro-3-pyridinecarboxylate
CID 3745688

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate?
The IUPAC name of methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate (CID 143868918) is methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate is C=C1C=CC(C(=O)OC)=CN1/C(=C(/C)CC)c1ccc(F)cc1.
What is the InChIKey of methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate?
The InChIKey is NGBYRHJRAGFFOU-AQTBWJFISA-N. The full InChI is InChI=1S/C19H20FNO2/c1-5-13(2)18(15-8-10-17(20)11-9-15)21-12-16(19(22)23-4)7-6-14(21)3/h6-12H,3,5H2,1-2,4H3/b18-13-.
What are the key properties of methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate?
methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate has a molecular weight of 313.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(Z)-1-(4-fluorophenyl)-2-methylbut-1-enyl]-6-methylidenepyridine-3-carboxylate is sourced from PubChem (CID 143868918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).