4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine

C11H14ClFN2O2 — CID 126954180

IUPAC4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine
SMILESCN(C)C1COCC1Oc1ncc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O2/c1-15(2)9-5-16-6-10(9)17-11-8(13)3-7(12)4-14-11/h3-4,9-10H,5-6H2,1-2H3
InChIKeyCFCQLQCUGDVABL-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.58
Rot. Bonds3

About 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine

4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine (PubChem CID 126954180) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine.

Molecular Properties

Compound Name4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine
PubChem CID126954180
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine
SMILESCN(C)C1COCC1Oc1ncc(Cl)cc1F
InChIInChI=1S/C11H14ClFN2O2/c1-15(2)9-5-16-6-10(9)17-11-8(13)3-7(12)4-14-11/h3-4,9-10H,5-6H2,1-2H3
InChIKeyCFCQLQCUGDVABL-UHFFFAOYSA-N
XLogP1.58
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine?
The IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine (CID 126954180) is 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine.
What is the SMILES notation for 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine?
The canonical SMILES for 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine is CN(C)C1COCC1Oc1ncc(Cl)cc1F.
What is the InChIKey of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine?
The InChIKey is CFCQLQCUGDVABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-15(2)9-5-16-6-10(9)17-11-8(13)3-7(12)4-14-11/h3-4,9-10H,5-6H2,1-2H3.
What are the key properties of 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine?
4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine has a molecular weight of 260.70 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N,N-dimethyloxolan-3-amine is sourced from PubChem (CID 126954180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).