methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate

C14H16ClFN2O2 — CID 163312541

IUPACmethyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCN(c1ncc(Cl)cc1F)CC2
InChIInChI=1S/C14H16ClFN2O2/c1-20-13(19)10-7-14(10)2-4-18(5-3-14)12-11(16)6-9(15)8-17-12/h6,8,10H,2-5,7H2,1H3
InChIKeyNFFUUFFDKFGPQY-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.65
Rot. Bonds2

About methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate

methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate (PubChem CID 163312541) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate
PubChem CID163312541
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC Namemethyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCN(c1ncc(Cl)cc1F)CC2
InChIInChI=1S/C14H16ClFN2O2/c1-20-13(19)10-7-14(10)2-4-18(5-3-14)12-11(16)6-9(15)8-17-12/h6,8,10H,2-5,7H2,1H3
InChIKeyNFFUUFFDKFGPQY-UHFFFAOYSA-N
XLogP2.65
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate (CID 163312541) is methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate is COC(=O)C1CC12CCN(c1ncc(Cl)cc1F)CC2.
What is the InChIKey of methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate?
The InChIKey is NFFUUFFDKFGPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-20-13(19)10-7-14(10)2-4-18(5-3-14)12-11(16)6-9(15)8-17-12/h6,8,10H,2-5,7H2,1H3.
What are the key properties of methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate?
methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate has a molecular weight of 298.75 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-chloro-3-fluoro-2-pyridinyl)-6-azaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 163312541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).