2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

C11H12F2N2O2 — CID 129499940

IUPAC2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CC[C@@H](C(F)F)C1
InChIInChI=1S/C11H12F2N2O2/c12-9(13)7-3-5-15(6-7)10-8(11(16)17)2-1-4-14-10/h1-2,4,7,9H,3,5-6H2,(H,16,17)/t7-/m1/s1
InChIKeyUJLMLNRLYLPQOL-SSDOTTSWSA-N
MW242.22 g/mol
LogP1.87
Rot. Bonds3

About 2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 129499940) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID129499940
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CC[C@@H](C(F)F)C1
InChIInChI=1S/C11H12F2N2O2/c12-9(13)7-3-5-15(6-7)10-8(11(16)17)2-1-4-14-10/h1-2,4,7,9H,3,5-6H2,(H,16,17)/t7-/m1/s1
InChIKeyUJLMLNRLYLPQOL-SSDOTTSWSA-N
XLogP1.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 121201168
2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine
CID 129498833
2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496225
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496223
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
2-[3-(difluoromethyl)pyrrolidin-1-yl]-3-ethylsulfonylpyridine
CID 154780352
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 129499940) is 2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CC[C@@H](C(F)F)C1.
What is the InChIKey of 2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is UJLMLNRLYLPQOL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-9(13)7-3-5-15(6-7)10-8(11(16)17)2-1-4-14-10/h1-2,4,7,9H,3,5-6H2,(H,16,17)/t7-/m1/s1.
What are the key properties of 2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 242.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 129499940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).