2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate

C15H17F2N2O2- — CID 151261329

IUPAC2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C([O-])N1CCC2(CC1)CC(c1ccc(C(F)F)nc1)C2
InChIInChI=1S/C15H18F2N2O2/c16-13(17)12-2-1-10(9-18-12)11-7-15(8-11)3-5-19(6-4-15)14(20)21/h1-2,9,11,13H,3-8H2,(H,20,21)/p-1
InChIKeyNUKDMPBSCKXUKC-UHFFFAOYSA-M
MW295.31 g/mol
LogP2.32
Rot. Bonds2

About 2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate

2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 151261329) has the molecular formula C15H17F2N2O2- and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID151261329
Molecular FormulaC15H17F2N2O2-
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESO=C([O-])N1CCC2(CC1)CC(c1ccc(C(F)F)nc1)C2
InChIInChI=1S/C15H18F2N2O2/c16-13(17)12-2-1-10(9-18-12)11-7-15(8-11)3-5-19(6-4-15)14(20)21/h1-2,9,11,13H,3-8H2,(H,20,21)/p-1
InChIKeyNUKDMPBSCKXUKC-UHFFFAOYSA-M
XLogP2.32
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(13,14-Difluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)piperidin-1-yl]ethanone
CID 14554146
N-methyl-N-[3-phenyl-3-(pyridin-2-yl)propyl]formamide
CID 133052758
(4-cyclobutylpiperazin-1-yl)-[(1S)-2-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl]methanone
CID 57618999
4-[(4,4-Difluorocyclohexyl)methyl]-3-[(2-methylpyridin-3-yl)methyl]-1,2,4-oxadiazol-5-one
CID 135371017
4,4,4-Trifluoro-1-[4-fluoro-4-(3-pyridyl)-1-piperidyl]butan-1-one
CID 137500071
4,4,4-Trifluoro-1-[4-fluoro-4-[4-(trifluoromethyl)-2-pyridyl]-1-piperidyl]butan-1-one
CID 137500377
4,4,4-Trifluoro-1-[4-(6-fluoro-3-pyridyl)-1-piperidyl]butan-1-one
CID 137500413
4,4,4-Trifluoro-1-[4-(2-methyl-4-pyridyl)-1-piperidyl]butan-1-one
CID 137500433
1-[4-(3,5-Difluoro-2-pyridyl)-1-piperidyl]-4,4,4-trifluoro-butan-1-one
CID 137500468
4,4,4-Trifluoro-1-[4-[4-(trifluoromethyl)-2-pyridyl]-1-piperidyl]butan-1-one
CID 137500472
4,4,4-Trifluoro-1-[4-(5-fluoro-2-pyridyl)-1-piperidyl]butan-1-one
CID 137500482
4,4,4-Trifluoro-1-[4-fluoro-4-(2-pyridyl)-1-piperidyl]butan-1-one
CID 137500484

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of 2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate (CID 151261329) is 2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for 2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for 2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate is O=C([O-])N1CCC2(CC1)CC(c1ccc(C(F)F)nc1)C2.
What is the InChIKey of 2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is NUKDMPBSCKXUKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18F2N2O2/c16-13(17)12-2-1-10(9-18-12)11-7-15(8-11)3-5-19(6-4-15)14(20)21/h1-2,9,11,13H,3-8H2,(H,20,21)/p-1.
What are the key properties of 2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate?
2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 295.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-3-pyridinyl]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 151261329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).