2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid

C15H15N3O2 — CID 40637940

IUPAC2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C15H15N3O2/c19-15(20)11-5-3-9-17-14(11)18-10-4-7-13(18)12-6-1-2-8-16-12/h1-3,5-6,8-9,13H,4,7,10H2,(H,19,20)/t13-/m1/s1
InChIKeyVNPQTIIZUBEFAW-CYBMUJFWSA-N
MW269.30 g/mol
LogP2.52
Rot. Bonds3

About 2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid

2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 40637940) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID40637940
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C15H15N3O2/c19-15(20)11-5-3-9-17-14(11)18-10-4-7-13(18)12-6-1-2-8-16-12/h1-3,5-6,8-9,13H,4,7,10H2,(H,19,20)/t13-/m1/s1
InChIKeyVNPQTIIZUBEFAW-CYBMUJFWSA-N
XLogP2.52
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 40637940) is 2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCC[C@@H]1c1ccccn1.
What is the InChIKey of 2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is VNPQTIIZUBEFAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20)11-5-3-9-17-14(11)18-10-4-7-13(18)12-6-1-2-8-16-12/h1-3,5-6,8-9,13H,4,7,10H2,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid?
2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 40637940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).