2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid

C11H13ClFN3O3 — CID 87087999

IUPAC2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
SMILESCc1c(Cl)ncnc1OC1C(F)CCCN1C(=O)O
InChIInChI=1S/C11H13ClFN3O3/c1-6-8(12)14-5-15-9(6)19-10-7(13)3-2-4-16(10)11(17)18/h5,7,10H,2-4H2,1H3,(H,17,18)
InChIKeyFLVWRMQJAPAHKI-UHFFFAOYSA-N
MW289.69 g/mol
LogP2.26
Rot. Bonds2

About 2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid

2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid (PubChem CID 87087999) has the molecular formula C11H13ClFN3O3 and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
PubChem CID87087999
Molecular FormulaC11H13ClFN3O3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
SMILESCc1c(Cl)ncnc1OC1C(F)CCCN1C(=O)O
InChIInChI=1S/C11H13ClFN3O3/c1-6-8(12)14-5-15-9(6)19-10-7(13)3-2-4-16(10)11(17)18/h5,7,10H,2-4H2,1H3,(H,17,18)
InChIKeyFLVWRMQJAPAHKI-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(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
tert-Butyl 4-(6-Chloro-5-fluoropyrimidin-4-yloxy)piperidine-1-carboxylate
CID 86709923
(3R,4S)-4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
CID 87088000
2-(6-Chloro-5-methylpyrimidin-4-yl)oxy-3-fluoro-2-(1-methylcyclopropyl)piperidine-1-carboxylic acid
CID 87088953
(4S)-4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
CID 87088977
(3R,4S)-2-tert-butyl-4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
CID 87152423
4-(6-Chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid
CID 87289406
(3R,4S)-4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoro-2-(1-methylcyclopropyl)piperidine-1-carboxylic acid
CID 87289432
(1-methylcyclopropyl) (4S)-4-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylate
CID 87289460

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid (CID 87087999) is 2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid is Cc1c(Cl)ncnc1OC1C(F)CCCN1C(=O)O.
What is the InChIKey of 2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is FLVWRMQJAPAHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O3/c1-6-8(12)14-5-15-9(6)19-10-7(13)3-2-4-16(10)11(17)18/h5,7,10H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid?
2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 289.69 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methylpyrimidin-4-yl)oxy-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 87087999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).