6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane

C12H13ClF2N2 — CID 172899520

IUPAC6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane
SMILESFC1(F)CC12CCN(c1ccc(Cl)cn1)CC2
InChIInChI=1S/C12H13ClF2N2/c13-9-1-2-10(16-7-9)17-5-3-11(4-6-17)8-12(11,14)15/h1-2,7H,3-6,8H2
InChIKeyCSVJGRPRMKITRT-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.36
Rot. Bonds1

About 6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane

6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane (PubChem CID 172899520) has the molecular formula C12H13ClF2N2 and a molecular weight of 258.70 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane
PubChem CID172899520
Molecular FormulaC12H13ClF2N2
Molecular Weight258.70 g/mol
Exact Mass258.07
IUPAC Name6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane
SMILESFC1(F)CC12CCN(c1ccc(Cl)cn1)CC2
InChIInChI=1S/C12H13ClF2N2/c13-9-1-2-10(16-7-9)17-5-3-11(4-6-17)8-12(11,14)15/h1-2,7H,3-6,8H2
InChIKeyCSVJGRPRMKITRT-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane?
The IUPAC name of 6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane (CID 172899520) is 6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane?
The canonical SMILES for 6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane is FC1(F)CC12CCN(c1ccc(Cl)cn1)CC2.
What is the InChIKey of 6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane?
The InChIKey is CSVJGRPRMKITRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2/c13-9-1-2-10(16-7-9)17-5-3-11(4-6-17)8-12(11,14)15/h1-2,7H,3-6,8H2.
What are the key properties of 6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane?
6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane has a molecular weight of 258.70 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane is sourced from PubChem (CID 172899520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).