5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

C18H17FN2O3 — CID 119136065

IUPAC5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCC1CC(c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C18H17FN2O3/c1-11-8-14(12-2-5-15(19)6-3-12)10-21(11)17(22)13-4-7-16(18(23)24)20-9-13/h2-7,9,11,14H,8,10H2,1H3,(H,23,24)
InChIKeyAFDLRHGJOLCIDA-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.94
Rot. Bonds3

About 5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119136065) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119136065
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCC1CC(c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C18H17FN2O3/c1-11-8-14(12-2-5-15(19)6-3-12)10-21(11)17(22)13-4-7-16(18(23)24)20-9-13/h2-7,9,11,14H,8,10H2,1H3,(H,23,24)
InChIKeyAFDLRHGJOLCIDA-UHFFFAOYSA-N
XLogP2.94
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119136065) is 5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is CC1CC(c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is AFDLRHGJOLCIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-11-8-14(12-2-5-15(19)6-3-12)10-21(11)17(22)13-4-7-16(18(23)24)20-9-13/h2-7,9,11,14H,8,10H2,1H3,(H,23,24).
What are the key properties of 5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 328.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119136065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).