2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

C11H13FN2O2 — CID 129496223

IUPAC2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CC[C@H](CF)C1
InChIInChI=1S/C11H13FN2O2/c12-6-8-3-5-14(7-8)10-9(11(15)16)2-1-4-13-10/h1-2,4,8H,3,5-7H2,(H,15,16)/t8-/m1/s1
InChIKeyJAKMXRCDLAYFHX-MRVPVSSYSA-N
MW224.23 g/mol
LogP1.58
Rot. Bonds3

About 2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 129496223) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID129496223
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CC[C@H](CF)C1
InChIInChI=1S/C11H13FN2O2/c12-6-8-3-5-14(7-8)10-9(11(15)16)2-1-4-13-10/h1-2,4,8H,3,5-7H2,(H,15,16)/t8-/m1/s1
InChIKeyJAKMXRCDLAYFHX-MRVPVSSYSA-N
XLogP1.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 129496223) is 2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CC[C@H](CF)C1.
What is the InChIKey of 2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is JAKMXRCDLAYFHX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-6-8-3-5-14(7-8)10-9(11(15)16)2-1-4-13-10/h1-2,4,8H,3,5-7H2,(H,15,16)/t8-/m1/s1.
What are the key properties of 2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 224.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 129496223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).