3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C15H17ClF3N3O2 — CID 154818315

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1
InChIInChI=1S/C15H17ClF3N3O2/c16-11-7-10(15(17,18)19)8-20-13(11)22-4-2-14(3-5-22)9-21-12(23)1-6-24-14/h7-8H,1-6,9H2,(H,21,23)
InChIKeyOCJYZEJYCMRZGO-UHFFFAOYSA-N
MW363.77 g/mol
LogP2.63
Rot. Bonds1

About 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 154818315) has the molecular formula C15H17ClF3N3O2 and a molecular weight of 363.77 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID154818315
Molecular FormulaC15H17ClF3N3O2
Molecular Weight363.77 g/mol
Exact Mass363.10
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1
InChIInChI=1S/C15H17ClF3N3O2/c16-11-7-10(15(17,18)19)8-20-13(11)22-4-2-14(3-5-22)9-21-12(23)1-6-24-14/h7-8H,1-6,9H2,(H,21,23)
InChIKeyOCJYZEJYCMRZGO-UHFFFAOYSA-N
XLogP2.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163317013
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50968620
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103725154
[8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4594162
2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
4'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413339
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2766908
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 115871414
5-chloro-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 26448464
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 78781777
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124696733

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 154818315) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is O=C1CCOC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is OCJYZEJYCMRZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O2/c16-11-7-10(15(17,18)19)8-20-13(11)22-4-2-14(3-5-22)9-21-12(23)1-6-24-14/h7-8H,1-6,9H2,(H,21,23).
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 363.77 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 154818315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).