(2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid

C25H21NO2 — CID 18650367

IUPAC(2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid
SMILESO=C(O)[C@H]1CC=CCN1c1cccc2c1C(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C25H21NO2/c27-25(28)22-14-6-7-16-26(22)21-15-8-13-20-18-11-4-5-12-19(18)23(24(20)21)17-9-2-1-3-10-17/h1-13,15,22-23H,14,16H2,(H,27,28)/t22-,23?/m1/s1
InChIKeyCJXONPPBEFWORJ-WTQRLHSKSA-N
MW367.45 g/mol
LogP5.07
Rot. Bonds3

About (2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid

(2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid (PubChem CID 18650367) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid
PubChem CID18650367
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name(2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid
SMILESO=C(O)[C@H]1CC=CCN1c1cccc2c1C(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C25H21NO2/c27-25(28)22-14-6-7-16-26(22)21-15-8-13-20-18-11-4-5-12-19(18)23(24(20)21)17-9-2-1-3-10-17/h1-13,15,22-23H,14,16H2,(H,27,28)/t22-,23?/m1/s1
InChIKeyCJXONPPBEFWORJ-WTQRLHSKSA-N
XLogP5.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid?
The IUPAC name of (2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid (CID 18650367) is (2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid is O=C(O)[C@H]1CC=CCN1c1cccc2c1C(c1ccccc1)c1ccccc1-2.
What is the InChIKey of (2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid?
The InChIKey is CJXONPPBEFWORJ-WTQRLHSKSA-N. The full InChI is InChI=1S/C25H21NO2/c27-25(28)22-14-6-7-16-26(22)21-15-8-13-20-18-11-4-5-12-19(18)23(24(20)21)17-9-2-1-3-10-17/h1-13,15,22-23H,14,16H2,(H,27,28)/t22-,23?/m1/s1.
What are the key properties of (2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid?
(2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid is sourced from PubChem (CID 18650367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).