4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid

C17H18N2O2 — CID 124987095

IUPAC4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
SMILESCN1CCC[C@@H]1c1cccc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C17H18N2O2/c1-19-11-3-6-16(19)15-5-2-4-14(18-15)12-7-9-13(10-8-12)17(20)21/h2,4-5,7-10,16H,3,6,11H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyODDFIEGYTVGVFS-MRXNPFEDSA-N
MW282.34 g/mol
LogP3.21
Rot. Bonds3

About 4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid

4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid (PubChem CID 124987095) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
PubChem CID124987095
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
SMILESCN1CCC[C@@H]1c1cccc(-c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C17H18N2O2/c1-19-11-3-6-16(19)15-5-2-4-14(18-15)12-7-9-13(10-8-12)17(20)21/h2,4-5,7-10,16H,3,6,11H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyODDFIEGYTVGVFS-MRXNPFEDSA-N
XLogP3.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 110162076
2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117129579
3-[6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid
CID 124969408
2-bromo-6-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 124641952
2-(2-methylpyrazol-3-yl)-6-(1-methylpyrrolidin-2-yl)pyridine
CID 127246025
4-[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyrazin-2-yl]benzoic acid
CID 124945130
3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 95813262
3-[3-[(2S)-1-methylpyrrolidin-2-yl]pyrazin-2-yl]benzoic acid
CID 124985271
4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine
CID 123600076
3-[6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidin-4-yl]benzoic acid
CID 124992514
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid (CID 124987095) is 4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid is CN1CCC[C@@H]1c1cccc(-c2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid?
The InChIKey is ODDFIEGYTVGVFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-11-3-6-16(19)15-5-2-4-14(18-15)12-7-9-13(10-8-12)17(20)21/h2,4-5,7-10,16H,3,6,11H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid?
4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid has a molecular weight of 282.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2R)-1-methylpyrrolidin-2-yl]-2-pyridinyl]benzoic acid is sourced from PubChem (CID 124987095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).