9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one

C13H15BrClN3O — CID 91928413

IUPAC9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCN(c1c(Cl)cncc1Br)C2
InChIInChI=1S/C13H15BrClN3O/c14-9-6-16-7-10(15)11(9)18-5-1-2-13(8-18)3-4-17-12(13)19/h6-7H,1-5,8H2,(H,17,19)
InChIKeySVIGWPNOZPRLDO-UHFFFAOYSA-N
MW344.64 g/mol
LogP2.60
Rot. Bonds1

About 9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one

9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 91928413) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is 9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID91928413
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC Name9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCCN(c1c(Cl)cncc1Br)C2
InChIInChI=1S/C13H15BrClN3O/c14-9-6-16-7-10(15)11(9)18-5-1-2-13(8-18)3-4-17-12(13)19/h6-7H,1-5,8H2,(H,17,19)
InChIKeySVIGWPNOZPRLDO-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one (CID 91928413) is 9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCCN(c1c(Cl)cncc1Br)C2.
What is the InChIKey of 9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is SVIGWPNOZPRLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O/c14-9-6-16-7-10(15)11(9)18-5-1-2-13(8-18)3-4-17-12(13)19/h6-7H,1-5,8H2,(H,17,19).
What are the key properties of 9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one?
9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 344.64 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromo-5-chloro-4-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 91928413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).