1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine

C10H13F2N3 — CID 112676655

IUPAC1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine
SMILESCCC1(N)CN(c2ncc(F)cc2F)C1
InChIInChI=1S/C10H13F2N3/c1-2-10(13)5-15(6-10)9-8(12)3-7(11)4-14-9/h3-4H,2,5-6,13H2,1H3
InChIKeyDGZJPFKQMUSDBU-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.29
Rot. Bonds2

About 1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine

1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine (PubChem CID 112676655) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine
PubChem CID112676655
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine
SMILESCCC1(N)CN(c2ncc(F)cc2F)C1
InChIInChI=1S/C10H13F2N3/c1-2-10(13)5-15(6-10)9-8(12)3-7(11)4-14-9/h3-4H,2,5-6,13H2,1H3
InChIKeyDGZJPFKQMUSDBU-UHFFFAOYSA-N
XLogP1.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine (CID 112676655) is 1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine is CCC1(N)CN(c2ncc(F)cc2F)C1.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine?
The InChIKey is DGZJPFKQMUSDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c1-2-10(13)5-15(6-10)9-8(12)3-7(11)4-14-9/h3-4H,2,5-6,13H2,1H3.
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine?
1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine has a molecular weight of 213.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine is sourced from PubChem (CID 112676655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).