2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid

C11H14N2O2 — CID 61224663

IUPAC2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CCN(c2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C11H14N2O2/c1-8-3-5-13(7-8)10-6-9(11(14)15)2-4-12-10/h2,4,6,8H,3,5,7H2,1H3,(H,14,15)
InChIKeyRRORMRIOTRAKRM-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.63
Rot. Bonds2

About 2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid

2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 61224663) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
PubChem CID61224663
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CCN(c2cc(C(=O)O)ccn2)C1
InChIInChI=1S/C11H14N2O2/c1-8-3-5-13(7-8)10-6-9(11(14)15)2-4-12-10/h2,4,6,8H,3,5,7H2,1H3,(H,14,15)
InChIKeyRRORMRIOTRAKRM-UHFFFAOYSA-N
XLogP1.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid (CID 61224663) is 2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid is CC1CCN(c2cc(C(=O)O)ccn2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is RRORMRIOTRAKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-3-5-13(7-8)10-6-9(11(14)15)2-4-12-10/h2,4,6,8H,3,5,7H2,1H3,(H,14,15).
What are the key properties of 2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 61224663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).