2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid

C17H17FN2O2 — CID 166239632

IUPAC2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCC1CC(c2ccc(F)cc2)CN1c1ncccc1C(=O)O
InChIInChI=1S/C17H17FN2O2/c1-11-9-13(12-4-6-14(18)7-5-12)10-20(11)16-15(17(21)22)3-2-8-19-16/h2-8,11,13H,9-10H2,1H3,(H,21,22)
InChIKeyHETFQOAVXHRHTC-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.30
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid

2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 166239632) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID166239632
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCC1CC(c2ccc(F)cc2)CN1c1ncccc1C(=O)O
InChIInChI=1S/C17H17FN2O2/c1-11-9-13(12-4-6-14(18)7-5-12)10-20(11)16-15(17(21)22)3-2-8-19-16/h2-8,11,13H,9-10H2,1H3,(H,21,22)
InChIKeyHETFQOAVXHRHTC-UHFFFAOYSA-N
XLogP3.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
2-(2,4-dimethylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 105382715
2-(2,3-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62125386
2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]propanoic acid
CID 119136186
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 122157842
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid
CID 114391598
1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742638
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
[(2S,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 124889015

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 166239632) is 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid is CC1CC(c2ccc(F)cc2)CN1c1ncccc1C(=O)O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is HETFQOAVXHRHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11-9-13(12-4-6-14(18)7-5-12)10-20(11)16-15(17(21)22)3-2-8-19-16/h2-8,11,13H,9-10H2,1H3,(H,21,22).
What are the key properties of 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid?
2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 300.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 166239632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).