4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid

C16H16N2O2 — CID 124993884

IUPAC4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc([C@H]3CCCN3)nc2)cc1
InChIInChI=1S/C16H16N2O2/c19-16(20)12-5-3-11(4-6-12)13-7-8-15(18-10-13)14-2-1-9-17-14/h3-8,10,14,17H,1-2,9H2,(H,19,20)/t14-/m1/s1
InChIKeyQAXLZCCSVLMDHV-CQSZACIVSA-N
MW268.32 g/mol
LogP2.87
Rot. Bonds3

About 4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid

4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid (PubChem CID 124993884) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid
PubChem CID124993884
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc([C@H]3CCCN3)nc2)cc1
InChIInChI=1S/C16H16N2O2/c19-16(20)12-5-3-11(4-6-12)13-7-8-15(18-10-13)14-2-1-9-17-14/h3-8,10,14,17H,1-2,9H2,(H,19,20)/t14-/m1/s1
InChIKeyQAXLZCCSVLMDHV-CQSZACIVSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid (CID 124993884) is 4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid is O=C(O)c1ccc(-c2ccc([C@H]3CCCN3)nc2)cc1.
What is the InChIKey of 4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid?
The InChIKey is QAXLZCCSVLMDHV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)12-5-3-11(4-6-12)13-7-8-15(18-10-13)14-2-1-9-17-14/h3-8,10,14,17H,1-2,9H2,(H,19,20)/t14-/m1/s1.
What are the key properties of 4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid?
4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid has a molecular weight of 268.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid is sourced from PubChem (CID 124993884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).