6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid

C11H14N2O3 — CID 103356410

IUPAC6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1(O)CCN(c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C11H14N2O3/c1-11(16)4-5-13(7-11)9-3-2-8(6-12-9)10(14)15/h2-3,6,16H,4-5,7H2,1H3,(H,14,15)
InChIKeyLAKNGDDLKGTTQT-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.74
Rot. Bonds2

About 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid

6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 103356410) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID103356410
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1(O)CCN(c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C11H14N2O3/c1-11(16)4-5-13(7-11)9-3-2-8(6-12-9)10(14)15/h2-3,6,16H,4-5,7H2,1H3,(H,14,15)
InChIKeyLAKNGDDLKGTTQT-UHFFFAOYSA-N
XLogP0.74
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-methyl-3-(4-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 166359477
6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43593037
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
6-[3-(2-chlorophenyl)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 121427679
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid
CID 72928045
1-(5-aminopyrazin-2-yl)-3-methylpyrrolidin-3-ol
CID 103358812
1-(5-chloro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 115871312
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 103356411
6-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 97145855
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid (CID 103356410) is 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid is CC1(O)CCN(c2ccc(C(=O)O)cn2)C1.
What is the InChIKey of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is LAKNGDDLKGTTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(16)4-5-13(7-11)9-3-2-8(6-12-9)10(14)15/h2-3,6,16H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 103356410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).