(2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

C23H18ClFN2O3 — CID 67257039

IUPAC(2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](c2ccccc2Cl)N1C(=O)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C23H18ClFN2O3/c24-18-4-2-1-3-17(18)20-11-12-21(23(29)30)27(20)22(28)15-7-10-19(26-13-15)14-5-8-16(25)9-6-14/h1-10,13,20-21H,11-12H2,(H,29,30)/t20-,21+/m1/s1
InChIKeyRTCXCPRGRWIEFZ-RTWAWAEBSA-N
MW424.86 g/mol
LogP4.97
Rot. Bonds4

About (2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

(2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 67257039) has the molecular formula C23H18ClFN2O3 and a molecular weight of 424.86 g/mol. Its IUPAC name is (2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID67257039
Molecular FormulaC23H18ClFN2O3
Molecular Weight424.86 g/mol
Exact Mass424.10
IUPAC Name(2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](c2ccccc2Cl)N1C(=O)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C23H18ClFN2O3/c24-18-4-2-1-3-17(18)20-11-12-21(23(29)30)27(20)22(28)15-7-10-19(26-13-15)14-5-8-16(25)9-6-14/h1-10,13,20-21H,11-12H2,(H,29,30)/t20-,21+/m1/s1
InChIKeyRTCXCPRGRWIEFZ-RTWAWAEBSA-N
XLogP4.97
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 67257039) is (2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC[C@H](c2ccccc2Cl)N1C(=O)c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of (2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RTCXCPRGRWIEFZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H18ClFN2O3/c24-18-4-2-1-3-17(18)20-11-12-21(23(29)30)27(20)22(28)15-7-10-19(26-13-15)14-5-8-16(25)9-6-14/h1-10,13,20-21H,11-12H2,(H,29,30)/t20-,21+/m1/s1.
What are the key properties of (2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
(2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 424.86 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67257039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).