8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one

C12H14BrClN4O — CID 118408031

IUPAC8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3c(Cl)cncc3Br)CC2)NN1
InChIInChI=1S/C12H14BrClN4O/c13-8-6-15-7-9(14)11(8)18-3-1-12(2-4-18)5-10(19)16-17-12/h6-7,17H,1-5H2,(H,16,19)
InChIKeyRBYWLGUUDDETCG-UHFFFAOYSA-N
MW345.63 g/mol
LogP1.86
Rot. Bonds1

About 8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one

8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one (PubChem CID 118408031) has the molecular formula C12H14BrClN4O and a molecular weight of 345.63 g/mol. Its IUPAC name is 8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one
PubChem CID118408031
Molecular FormulaC12H14BrClN4O
Molecular Weight345.63 g/mol
Exact Mass344.00
IUPAC Name8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3c(Cl)cncc3Br)CC2)NN1
InChIInChI=1S/C12H14BrClN4O/c13-8-6-15-7-9(14)11(8)18-3-1-12(2-4-18)5-10(19)16-17-12/h6-7,17H,1-5H2,(H,16,19)
InChIKeyRBYWLGUUDDETCG-UHFFFAOYSA-N
XLogP1.86
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.63
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

8-(3-Bromo-5-chloropyridin-4-yl)-1-(trifluoromethyl)-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118395032
1-(3-Bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide
CID 118408029
1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide
CID 137411448
7-(3-Bromo-5-chloropyridin-4-yl)-2,7-diazaspiro[4.5]decan-1-one
CID 91928413
1-(3-Bromo-5-chloropyridin-4-yl)piperidine-4-carboxamide
CID 45274281
8-(3-Bromo-5-chloro-4-pyridinyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 118394960
8-(3-Bromo-5-chloro-4-pyridinyl)-2,2-dimethyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 118394961
8-(3-Bromo-5-chloro-4-pyridinyl)-1-ethyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118395019
8-(3-Bromo-5-chloropyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 118395084
4-Amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide
CID 118395108
1-(3-Bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide
CID 118407961
8-(3-Bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decane-1,3-dione
CID 118408010

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one (CID 118408031) is 8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one is O=C1CC2(CCN(c3c(Cl)cncc3Br)CC2)NN1.
What is the InChIKey of 8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one?
The InChIKey is RBYWLGUUDDETCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4O/c13-8-6-15-7-9(14)11(8)18-3-1-12(2-4-18)5-10(19)16-17-12/h6-7,17H,1-5H2,(H,16,19).
What are the key properties of 8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one?
8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one has a molecular weight of 345.63 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-5-chloro-4-pyridinyl)-1,2,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118408031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).