methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate

C21H19FN2O2 — CID 59988466

IUPACmethyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c2n1CCC2C
InChIInChI=1S/C21H19FN2O2/c1-13-9-12-24-19(13)17(15-7-10-23-11-8-15)18(20(24)21(25)26-2)14-3-5-16(22)6-4-14/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyVSUFIMXMODNYJH-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.65
Rot. Bonds3

About methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate

methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate (PubChem CID 59988466) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
PubChem CID59988466
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Namemethyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c2n1CCC2C
InChIInChI=1S/C21H19FN2O2/c1-13-9-12-24-19(13)17(15-7-10-23-11-8-15)18(20(24)21(25)26-2)14-3-5-16(22)6-4-14/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyVSUFIMXMODNYJH-UHFFFAOYSA-N
XLogP4.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate (CID 59988466) is methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate is COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c2n1CCC2C.
What is the InChIKey of methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
The InChIKey is VSUFIMXMODNYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-13-9-12-24-19(13)17(15-7-10-23-11-8-15)18(20(24)21(25)26-2)14-3-5-16(22)6-4-14/h3-8,10-11,13H,9,12H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate?
methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate has a molecular weight of 350.39 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-7-methyl-1-pyridin-4-yl-6,7-dihydro-5H-pyrrolizine-3-carboxylate is sourced from PubChem (CID 59988466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).