3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid

C11H13FN2O4 — CID 134496870

IUPAC3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
SMILESCOc1nc(OC2CCN(C(=O)O)C2)ccc1F
InChIInChI=1S/C11H13FN2O4/c1-17-10-8(12)2-3-9(13-10)18-7-4-5-14(6-7)11(15)16/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyBKMVOGHFVJYILN-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.36
Rot. Bonds3

About 3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid

3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid (PubChem CID 134496870) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
PubChem CID134496870
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
SMILESCOc1nc(OC2CCN(C(=O)O)C2)ccc1F
InChIInChI=1S/C11H13FN2O4/c1-17-10-8(12)2-3-9(13-10)18-7-4-5-14(6-7)11(15)16/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyBKMVOGHFVJYILN-UHFFFAOYSA-N
XLogP1.36
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 100611568
2-(2-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627502
(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 138020495
(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815865
(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100635081
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637561
2-(4-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 90639141
2-fluoro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 172892893
[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 126852395
(2-methoxy-3-pyridinyl)-[(3R)-3-quinolin-2-yloxypyrrolidin-1-yl]methanone
CID 124727992

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid (CID 134496870) is 3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid is COc1nc(OC2CCN(C(=O)O)C2)ccc1F.
What is the InChIKey of 3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid?
The InChIKey is BKMVOGHFVJYILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-17-10-8(12)2-3-9(13-10)18-7-4-5-14(6-7)11(15)16/h2-3,7H,4-6H2,1H3,(H,15,16).
What are the key properties of 3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid?
3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid has a molecular weight of 256.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-6-methoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 134496870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).