3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid

C11H13ClN2O2 — CID 61224854

IUPAC3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCN(c2ccc(Cl)c(C(=O)O)n2)C1
InChIInChI=1S/C11H13ClN2O2/c1-7-4-5-14(6-7)9-3-2-8(12)10(13-9)11(15)16/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyPMNCPAGDFSYTLA-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.28
Rot. Bonds2

About 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid

3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 61224854) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
PubChem CID61224854
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCN(c2ccc(Cl)c(C(=O)O)n2)C1
InChIInChI=1S/C11H13ClN2O2/c1-7-4-5-14(6-7)9-3-2-8(12)10(13-9)11(15)16/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyPMNCPAGDFSYTLA-UHFFFAOYSA-N
XLogP2.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid (CID 61224854) is 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid is CC1CCN(c2ccc(Cl)c(C(=O)O)n2)C1.
What is the InChIKey of 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is PMNCPAGDFSYTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7-4-5-14(6-7)9-3-2-8(12)10(13-9)11(15)16/h2-3,7H,4-6H2,1H3,(H,15,16).
What are the key properties of 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 240.69 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 61224854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).