3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine

C9H10ClFN2O — CID 130545673

IUPAC3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine
SMILESNC1(c2ncc(Cl)cc2F)CCOC1
InChIInChI=1S/C9H10ClFN2O/c10-6-3-7(11)8(13-4-6)9(12)1-2-14-5-9/h3-4H,1-2,5,12H2
InChIKeyAWHRWKIHLOYSRI-UHFFFAOYSA-N
MW216.64 g/mol
LogP1.45
Rot. Bonds1

About 3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine

3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine (PubChem CID 130545673) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine
PubChem CID130545673
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine
SMILESNC1(c2ncc(Cl)cc2F)CCOC1
InChIInChI=1S/C9H10ClFN2O/c10-6-3-7(11)8(13-4-6)9(12)1-2-14-5-9/h3-4H,1-2,5,12H2
InChIKeyAWHRWKIHLOYSRI-UHFFFAOYSA-N
XLogP1.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine?
The IUPAC name of 3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine (CID 130545673) is 3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine.
What is the SMILES notation for 3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine?
The canonical SMILES for 3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine is NC1(c2ncc(Cl)cc2F)CCOC1.
What is the InChIKey of 3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine?
The InChIKey is AWHRWKIHLOYSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c10-6-3-7(11)8(13-4-6)9(12)1-2-14-5-9/h3-4H,1-2,5,12H2.
What are the key properties of 3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine?
3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine has a molecular weight of 216.64 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-fluoro-2-pyridinyl)oxolan-3-amine is sourced from PubChem (CID 130545673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).