3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid

C12H15ClN2O3 — CID 72934266

IUPAC3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESC[C@@H]1CN(c2ccc(Cl)c(C(=O)O)n2)C[C@]1(C)O
InChIInChI=1S/C12H15ClN2O3/c1-7-5-15(6-12(7,2)18)9-4-3-8(13)10(14-9)11(16)17/h3-4,7,18H,5-6H2,1-2H3,(H,16,17)/t7-,12+/m1/s1
InChIKeyFMDZKDZOXOMCJN-KRTXAFLBSA-N
MW270.72 g/mol
LogP1.64
Rot. Bonds2

About 3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid

3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 72934266) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID72934266
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESC[C@@H]1CN(c2ccc(Cl)c(C(=O)O)n2)C[C@]1(C)O
InChIInChI=1S/C12H15ClN2O3/c1-7-5-15(6-12(7,2)18)9-4-3-8(13)10(14-9)11(16)17/h3-4,7,18H,5-6H2,1-2H3,(H,16,17)/t7-,12+/m1/s1
InChIKeyFMDZKDZOXOMCJN-KRTXAFLBSA-N
XLogP1.64
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 72934266) is 3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid is C[C@@H]1CN(c2ccc(Cl)c(C(=O)O)n2)C[C@]1(C)O.
What is the InChIKey of 3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is FMDZKDZOXOMCJN-KRTXAFLBSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-7-5-15(6-12(7,2)18)9-4-3-8(13)10(14-9)11(16)17/h3-4,7,18H,5-6H2,1-2H3,(H,16,17)/t7-,12+/m1/s1.
What are the key properties of 3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid?
3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 270.72 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72934266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).