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

C16H16N2O2 — CID 62131776

IUPAC4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCC(c3ccccc3)C2)ccn1
InChIInChI=1S/C16H16N2O2/c19-16(20)15-10-14(6-8-17-15)18-9-7-13(11-18)12-4-2-1-3-5-12/h1-6,8,10,13H,7,9,11H2,(H,19,20)
InChIKeyUEPBAJKEAMHWOF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.77
Rot. Bonds3

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

4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 62131776) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
PubChem CID62131776
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCC(c3ccccc3)C2)ccn1
InChIInChI=1S/C16H16N2O2/c19-16(20)15-10-14(6-8-17-15)18-9-7-13(11-18)12-4-2-1-3-5-12/h1-6,8,10,13H,7,9,11H2,(H,19,20)
InChIKeyUEPBAJKEAMHWOF-UHFFFAOYSA-N
XLogP2.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid
CID 43620518
2-chloro-4-(3-phenylpyrrolidin-1-yl)benzoic acid
CID 62946081
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 112625915
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid
CID 66371853
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
CID 80516938
4-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide
CID 162682910
4-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
CID 175743104
phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10491030
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83178302
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanol
CID 78940951

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid (CID 62131776) is 4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid is O=C(O)c1cc(N2CCC(c3ccccc3)C2)ccn1.
What is the InChIKey of 4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is UEPBAJKEAMHWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)15-10-14(6-8-17-15)18-9-7-13(11-18)12-4-2-1-3-5-12/h1-6,8,10,13H,7,9,11H2,(H,19,20).
What are the key properties of 4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 62131776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).