1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C12H11F3N2O3 — CID 63708514

IUPAC1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccccn1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)11(10(19)20)4-6-17(7-11)9(18)8-3-1-2-5-16-8/h1-3,5H,4,6-7H2,(H,19,20)
InChIKeyBYFGCEOGCSRFRM-UHFFFAOYSA-N
MW288.22 g/mol
LogP1.56
Rot. Bonds2

About 1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708514) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708514
Molecular FormulaC12H11F3N2O3
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC Name1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccccn1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)11(10(19)20)4-6-17(7-11)9(18)8-3-1-2-5-16-8/h1-3,5H,4,6-7H2,(H,19,20)
InChIKeyBYFGCEOGCSRFRM-UHFFFAOYSA-N
XLogP1.56
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Gaba-picolinoyl-N
CID 1713718
3-Methyl-2-(pyridin-2-ylformamido)butanoic acid
CID 3098099
5-Oxo-1-[(pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 4777987
2-Amino-3-(pyridine-2-carbonylamino)propanoic acid
CID 44236347
1-(Pyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 16769423
1-(Pyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 16769943
2-(N-methyl-1-pyridin-2-ylformamido)acetic acid
CID 16776132
(2-Methyl-1,3-dioxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazin-4-yl)-acetic acid
CID 10585106
(2-Isopropyl-1,3-dioxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazin-4-yl)-acetic acid
CID 10610663
N-[2-oxo-2-(pyrrolidin-1-yl) ethyl]picolinamide
CID 45805278
3-Methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 49790692
(2S,3R)-2-(4-fluorophenyl)-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 92422687

Frequently Asked Questions

What is the IUPAC name of 1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708514) is 1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(c1ccccn1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BYFGCEOGCSRFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)11(10(19)20)4-6-17(7-11)9(18)8-3-1-2-5-16-8/h1-3,5H,4,6-7H2,(H,19,20).
What are the key properties of 1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 288.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).