1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

C10H9ClF3N3O2 — CID 146218435

IUPAC1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H9ClF3N3O2/c11-6-4-7(16-9(15-6)10(12,13)14)17-3-1-2-5(17)8(18)19/h4-5H,1-3H2,(H,18,19)
InChIKeyUGCCUFSKVGBMNH-UHFFFAOYSA-N
MW295.65 g/mol
LogP2.20
Rot. Bonds2

About 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 146218435) has the molecular formula C10H9ClF3N3O2 and a molecular weight of 295.65 g/mol. Its IUPAC name is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID146218435
Molecular FormulaC10H9ClF3N3O2
Molecular Weight295.65 g/mol
Exact Mass295.03
IUPAC Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H9ClF3N3O2/c11-6-4-7(16-9(15-6)10(12,13)14)17-3-1-2-5(17)8(18)19/h4-5H,1-3H2,(H,18,19)
InChIKeyUGCCUFSKVGBMNH-UHFFFAOYSA-N
XLogP2.20
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.65
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 145433357
(3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 145433430
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 113875231
(1-(6-Chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl)methanol
CID 121204087
[(2R)-1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol
CID 129353137
[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol
CID 129353138
methyl (2S)-1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 102080310
Methyl 1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 73949508
(2R)-1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid
CID 130226973
1-(2,6-Dichloropyrimidin-4-yl)piperidine-2-carboxylic acid
CID 130226974
(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidine-2-carboxylic acid
CID 130227411
2-(4-Chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)cyclopropane-1-carboxylic acid
CID 144465805

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid (CID 146218435) is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is UGCCUFSKVGBMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O2/c11-6-4-7(16-9(15-6)10(12,13)14)17-3-1-2-5(17)8(18)19/h4-5H,1-3H2,(H,18,19).
What are the key properties of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 295.65 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 146218435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).