4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid

C11H13ClFN3O3 — CID 87289406

IUPAC4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
SMILESCc1c(Cl)ncnc1OC1CCN(C(=O)O)CC1F
InChIInChI=1S/C11H13ClFN3O3/c1-6-9(12)14-5-15-10(6)19-8-2-3-16(11(17)18)4-7(8)13/h5,7-8H,2-4H2,1H3,(H,17,18)
InChIKeyISLDFPIIFFAFBU-UHFFFAOYSA-N
MW289.69 g/mol
LogP1.91
Rot. Bonds2

About 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid

4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid (PubChem CID 87289406) has the molecular formula C11H13ClFN3O3 and a molecular weight of 289.69 g/mol. Its IUPAC name is 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
PubChem CID87289406
Molecular FormulaC11H13ClFN3O3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
SMILESCc1c(Cl)ncnc1OC1CCN(C(=O)O)CC1F
InChIInChI=1S/C11H13ClFN3O3/c1-6-9(12)14-5-15-10(6)19-8-2-3-16(11(17)18)4-7(8)13/h5,7-8H,2-4H2,1H3,(H,17,18)
InChIKeyISLDFPIIFFAFBU-UHFFFAOYSA-N
XLogP1.91
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4-[(6-chloropyrimidin-4-yl)oxy]piperidine-1-carboxylate
CID 21906116
4-chloro-6-{[(3R,4S)-3-fluoropiperidin-4-yl]oxy}-5-methylpyrimidine
CID 59566476
(3R,4S)-1-methylcyclopropyl 4-(6-chloro-5-methylpyrimidin-4-yloxy)-3-fluoropiperidine-1-carboxylate
CID 59566477
(3R,4S)-tert-butyl 4-(6-chloro-5-methylpyrimidin-4-yloxy)-3-fluoropiperidine-1-carboxylate
CID 59566489
(3R,4S)-1-methylcyclopropyl 4-(6-chloropyrimidin-4-yloxy)-3-fluoropiperidine-1-carboxylate
CID 59566516
4-Chloro-6-(3-fluoropiperidin-4-yl)oxy-5-methylpyrimidine
CID 72327721
(1-Methylcyclopropyl) 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylate
CID 72327722
Tert-butyl 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylate
CID 72327724
(1-Methylcyclopropyl) 4-(6-chloropyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylate
CID 72327727
tert-Butyl 4-(6-Chloro-5-fluoropyrimidin-4-yloxy)piperidine-1-carboxylate
CID 86709923
2-(6-Chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
CID 87087999
(3R,4S)-4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
CID 87088000

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid (CID 87289406) is 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid is Cc1c(Cl)ncnc1OC1CCN(C(=O)O)CC1F.
What is the InChIKey of 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is ISLDFPIIFFAFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O3/c1-6-9(12)14-5-15-10(6)19-8-2-3-16(11(17)18)4-7(8)13/h5,7-8H,2-4H2,1H3,(H,17,18).
What are the key properties of 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid?
4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 289.69 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 87289406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).