6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid

C12H16N2O3 — CID 106905038

IUPAC6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCOC1CCN(Cc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C12H16N2O3/c1-17-10-5-6-14(8-10)7-9-3-2-4-11(13-9)12(15)16/h2-4,10H,5-8H2,1H3,(H,15,16)
InChIKeyNJOHTDVOESZUHI-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.00
Rot. Bonds4

About 6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid

6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 106905038) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID106905038
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCOC1CCN(Cc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C12H16N2O3/c1-17-10-5-6-14(8-10)7-9-3-2-4-11(13-9)12(15)16/h2-4,10H,5-8H2,1H3,(H,15,16)
InChIKeyNJOHTDVOESZUHI-UHFFFAOYSA-N
XLogP1.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903971
6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 125445677
6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474909
4-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 103535120
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916
6-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 106904012
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
(3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone
CID 177347554
6-[(4-tert-butylazepan-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904201

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid (CID 106905038) is 6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid is COC1CCN(Cc2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is NJOHTDVOESZUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-10-5-6-14(8-10)7-9-3-2-4-11(13-9)12(15)16/h2-4,10H,5-8H2,1H3,(H,15,16).
What are the key properties of 6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106905038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).