1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C13H13F3N2O3 — CID 63709959

IUPAC1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCc1cccc(C(=O)N2CCC(C(=O)O)(C(F)(F)F)C2)n1
InChIInChI=1S/C13H13F3N2O3/c1-8-3-2-4-9(17-8)10(19)18-6-5-12(7-18,11(20)21)13(14,15)16/h2-4H,5-7H2,1H3,(H,20,21)
InChIKeyGWLQHQKWCKUOJS-UHFFFAOYSA-N
MW302.25 g/mol
LogP1.87
Rot. Bonds2

About 1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63709959) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63709959
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCc1cccc(C(=O)N2CCC(C(=O)O)(C(F)(F)F)C2)n1
InChIInChI=1S/C13H13F3N2O3/c1-8-3-2-4-9(17-8)10(19)18-6-5-12(7-18,11(20)21)13(14,15)16/h2-4H,5-7H2,1H3,(H,20,21)
InChIKeyGWLQHQKWCKUOJS-UHFFFAOYSA-N
XLogP1.87
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-{[(6-{[(3-Carboxypropyl)amino]carbonyl}-2-pyridinyl)carbonyl]amino}butanoic acid
CID 1718953
3-[[6-(2-Carboxyethylcarbamoyl)pyridine-2-carbonyl]amino]propanoic acid
CID 36302661
3-Methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 49790692
[(3S,4R)-3-(Dimethylamino)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-YL](6-methyl-2-pyridyl)methanone
CID 134804354
[(4S,5R)-2-(2-methoxyethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-(6-methyl-2-pyridinyl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 127022144
(5,6-dimethyl-2-pyridinyl)-[(3S)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 164638491
[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 164642001
1-[(2S)-1-(6-fluoropyridine-2-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 58533268
CID 59369603
CID 59369603
N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 68348541
4-(6-carbamoyl-3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 121414955
rac-1-{3-[(6-Trifluoromethyl-pyridine-2-carbonyl)-amino]-benzyl}-pyrrolidine-3-carboxylic acid
CID 131736812

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63709959) is 1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is Cc1cccc(C(=O)N2CCC(C(=O)O)(C(F)(F)F)C2)n1.
What is the InChIKey of 1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GWLQHQKWCKUOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-8-3-2-4-9(17-8)10(19)18-6-5-12(7-18,11(20)21)13(14,15)16/h2-4H,5-7H2,1H3,(H,20,21).
What are the key properties of 1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 302.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridine-2-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63709959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).