methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate

C13H15FN2O3 — CID 115694818

IUPACmethyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cncc(F)c2)CC1C
InChIInChI=1S/C13H15FN2O3/c1-8-6-16(7-11(8)13(18)19-2)12(17)9-3-10(14)5-15-4-9/h3-5,8,11H,6-7H2,1-2H3
InChIKeyUHWOBRHUSSCPGV-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.10
Rot. Bonds2

About methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate

methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate (PubChem CID 115694818) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate
PubChem CID115694818
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Namemethyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cncc(F)c2)CC1C
InChIInChI=1S/C13H15FN2O3/c1-8-6-16(7-11(8)13(18)19-2)12(17)9-3-10(14)5-15-4-9/h3-5,8,11H,6-7H2,1-2H3
InChIKeyUHWOBRHUSSCPGV-UHFFFAOYSA-N
XLogP1.10
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983967
methyl (3S,4S)-1-(4-bromobenzoyl)-4-methylpyrrolidine-3-carboxylate
CID 122139680
methyl 1-(3-amino-5-methoxybenzoyl)-4-methylpyrrolidine-3-carboxylate
CID 81094450
methyl 1-(4-amino-3-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylate
CID 107075695
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
methyl 1-(2,3-difluoropyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylate
CID 105381419
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 102921512
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
methyl 1-(3-bromopyridine-2-carbonyl)-4-methylpyrrolidine-3-carboxylate
CID 107519170
(5-fluoro-3-pyridinyl)-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 124883736
1-[[1-(5-fluoropyridine-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
CID 126851202

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate (CID 115694818) is methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate is COC(=O)C1CN(C(=O)c2cncc(F)c2)CC1C.
What is the InChIKey of methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate?
The InChIKey is UHWOBRHUSSCPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8-6-16(7-11(8)13(18)19-2)12(17)9-3-10(14)5-15-4-9/h3-5,8,11H,6-7H2,1-2H3.
What are the key properties of methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate?
methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate has a molecular weight of 266.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 115694818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).