1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane

C14H19BrClN3 — CID 103582816

IUPAC1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane
SMILESClc1cc(Br)cnc1N1CCNCC12CCCCC2
InChIInChI=1S/C14H19BrClN3/c15-11-8-12(16)13(18-9-11)19-7-6-17-10-14(19)4-2-1-3-5-14/h8-9,17H,1-7,10H2
InChIKeyBJKBWXIHBXUSGL-UHFFFAOYSA-N
MW344.68 g/mol
LogP3.61
Rot. Bonds1

About 1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane

1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 103582816) has the molecular formula C14H19BrClN3 and a molecular weight of 344.68 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane
PubChem CID103582816
Molecular FormulaC14H19BrClN3
Molecular Weight344.68 g/mol
Exact Mass343.05
IUPAC Name1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane
SMILESClc1cc(Br)cnc1N1CCNCC12CCCCC2
InChIInChI=1S/C14H19BrClN3/c15-11-8-12(16)13(18-9-11)19-7-6-17-10-14(19)4-2-1-3-5-14/h8-9,17H,1-7,10H2
InChIKeyBJKBWXIHBXUSGL-UHFFFAOYSA-N
XLogP3.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
CID 105370009
1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
CID 66318528
1-(5-bromo-3-chloro-2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 103582761
5-bromo-3-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine
CID 107425693
1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79256208
1-(6-chloro-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
CID 87913487
8-(5-bromo-3-chloro-2-pyridinyl)-2-cyclohexyl-2,8-diazaspiro[4.5]decan-1-one
CID 143482726
4-[6-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165434180
1-(5-bromo-3-chloro-2-pyridinyl)cyclopentan-1-amine
CID 130545363
5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine
CID 103583473
1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane
CID 81139672
1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
CID 66332389

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane (CID 103582816) is 1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane is Clc1cc(Br)cnc1N1CCNCC12CCCCC2.
What is the InChIKey of 1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is BJKBWXIHBXUSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3/c15-11-8-12(16)13(18-9-11)19-7-6-17-10-14(19)4-2-1-3-5-14/h8-9,17H,1-7,10H2.
What are the key properties of 1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane?
1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 344.68 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 103582816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).