[1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

C14H16BrF2N3O — CID 172880789

IUPAC[1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(c2ccc(Br)cn2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H16BrF2N3O/c15-11-1-2-12(18-7-11)20-8-10(9-20)13(21)19-5-3-14(16,17)4-6-19/h1-2,7,10H,3-6,8-9H2
InChIKeyQDYHIPNYMHTRKW-UHFFFAOYSA-N
MW360.20 g/mol
LogP2.54
Rot. Bonds2

About [1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 172880789) has the molecular formula C14H16BrF2N3O and a molecular weight of 360.20 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID172880789
Molecular FormulaC14H16BrF2N3O
Molecular Weight360.20 g/mol
Exact Mass359.04
IUPAC Name[1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(c2ccc(Br)cn2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H16BrF2N3O/c15-11-1-2-12(18-7-11)20-8-10(9-20)13(21)19-5-3-14(16,17)4-6-19/h1-2,7,10H,3-6,8-9H2
InChIKeyQDYHIPNYMHTRKW-UHFFFAOYSA-N
XLogP2.54
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 172880789) is [1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CN(c2ccc(Br)cn2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is QDYHIPNYMHTRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3O/c15-11-1-2-12(18-7-11)20-8-10(9-20)13(21)19-5-3-14(16,17)4-6-19/h1-2,7,10H,3-6,8-9H2.
What are the key properties of [1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 360.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 172880789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).