methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate

C11H12F2N2O2 — CID 150740136

IUPACmethyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(F)(F)C2)cn1
InChIInChI=1S/C11H12F2N2O2/c1-17-10(16)9-3-2-8(6-14-9)15-5-4-11(12,13)7-15/h2-3,6H,4-5,7H2,1H3
InChIKeyJTRBTGBGVCPXMD-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.71
Rot. Bonds2

About methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate

methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate (PubChem CID 150740136) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate
PubChem CID150740136
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Namemethyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(F)(F)C2)cn1
InChIInChI=1S/C11H12F2N2O2/c1-17-10(16)9-3-2-8(6-14-9)15-5-4-11(12,13)7-15/h2-3,6H,4-5,7H2,1H3
InChIKeyJTRBTGBGVCPXMD-UHFFFAOYSA-N
XLogP1.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 171800424
1-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]ethanone
CID 115034874
5-(3,3-diethylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 115491017
5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 106318842
tert-butyl 7-[6-(methylcarbamoyl)-3-pyridinyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 176613438
methyl 5-[4-(2-methylbutan-2-yloxycarbonyl)piperidin-1-yl]pyridine-2-carboxylate
CID 166113676
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
dimethyl 5-(4,4-difluoropiperidin-1-yl)benzene-1,3-dicarboxylate
CID 57496007
1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid;methyl 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylate
CID 175894628
methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate
CID 169238594
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
methyl 5-(3,3-difluoroazetidin-1-yl)-6-(2-methoxyethoxy)pyridine-2-carboxylate
CID 71087451

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate (CID 150740136) is methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate is COC(=O)c1ccc(N2CCC(F)(F)C2)cn1.
What is the InChIKey of methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate?
The InChIKey is JTRBTGBGVCPXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c1-17-10(16)9-3-2-8(6-14-9)15-5-4-11(12,13)7-15/h2-3,6H,4-5,7H2,1H3.
What are the key properties of methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate?
methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate has a molecular weight of 242.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 150740136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).