methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate

C15H16FNO2 — CID 54072040

IUPACmethyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)N=C(C)CC1c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2/c1-9-8-13(11-4-6-12(16)7-5-11)14(10(2)17-9)15(18)19-3/h4-7,13H,8H2,1-3H3
InChIKeyMHCVMFVZMLNSSU-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.22
Rot. Bonds2

About methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate

methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate (PubChem CID 54072040) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate
PubChem CID54072040
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Namemethyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)N=C(C)CC1c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2/c1-9-8-13(11-4-6-12(16)7-5-11)14(10(2)17-9)15(18)19-3/h4-7,13H,8H2,1-3H3
InChIKeyMHCVMFVZMLNSSU-UHFFFAOYSA-N
XLogP3.22
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate (CID 54072040) is methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate is COC(=O)C1=C(C)N=C(C)CC1c1ccc(F)cc1.
What is the InChIKey of methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate?
The InChIKey is MHCVMFVZMLNSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-9-8-13(11-4-6-12(16)7-5-11)14(10(2)17-9)15(18)19-3/h4-7,13H,8H2,1-3H3.
What are the key properties of methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate?
methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate has a molecular weight of 261.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 54072040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).