[2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol

C18H17ClF3N3O — CID 168920570

IUPAC[2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)C1CC2(C1)CN(c1cc(Cl)cnc1C(F)(F)F)C2
InChIInChI=1S/C18H17ClF3N3O/c19-13-4-14(16(24-8-13)18(20,21)22)25-9-17(10-25)5-12(6-17)15(26)11-2-1-3-23-7-11/h1-4,7-8,12,15,26H,5-6,9-10H2
InChIKeyVQAHKUOCZFGSFZ-UHFFFAOYSA-N
MW383.80 g/mol
LogP4.10
Rot. Bonds3

About [2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol

[2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol (PubChem CID 168920570) has the molecular formula C18H17ClF3N3O and a molecular weight of 383.80 g/mol. Its IUPAC name is [2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol
PubChem CID168920570
Molecular FormulaC18H17ClF3N3O
Molecular Weight383.80 g/mol
Exact Mass383.10
IUPAC Name[2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)C1CC2(C1)CN(c1cc(Cl)cnc1C(F)(F)F)C2
InChIInChI=1S/C18H17ClF3N3O/c19-13-4-14(16(24-8-13)18(20,21)22)25-9-17(10-25)5-12(6-17)15(26)11-2-1-3-23-7-11/h1-4,7-8,12,15,26H,5-6,9-10H2
InChIKeyVQAHKUOCZFGSFZ-UHFFFAOYSA-N
XLogP4.10
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol
CID 168920571
[2-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-(4-ethoxy-3-pyridinyl)methanol
CID 168920592
2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-6-[(4-methoxy-3-pyridinyl)methyl]-2-azaspiro[3.3]heptan-6-ol
CID 168920467
7-[pyridin-3-yl-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-2-oxa-7-azaspiro[3.4]octane
CID 168920688
[1-(3-chloro-4-methylphenyl)pyrrolidin-3-yl]-pyridin-3-ylmethanol
CID 168920390
(3-methoxy-4-pyridinyl)-[2-[6-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]methanol
CID 168920734
2-(4-chloro-2-fluorophenyl)-6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptane
CID 162379993
(2S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 71720882
2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptane
CID 162379901
(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine
CID 130992574
cyclohex-3-en-1-yl(pyridin-3-yl)methanol
CID 63899340
(R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 66922921

Frequently Asked Questions

What is the IUPAC name of [2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol (CID 168920570) is [2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)C1CC2(C1)CN(c1cc(Cl)cnc1C(F)(F)F)C2.
What is the InChIKey of [2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol?
The InChIKey is VQAHKUOCZFGSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O/c19-13-4-14(16(24-8-13)18(20,21)22)25-9-17(10-25)5-12(6-17)15(26)11-2-1-3-23-7-11/h1-4,7-8,12,15,26H,5-6,9-10H2.
What are the key properties of [2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol?
[2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol has a molecular weight of 383.80 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 168920570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).