3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane

C14H19BrN2O2 — CID 102930435

IUPAC3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(Br)cnc1OC1COC2(CCNCC2)C1
InChIInChI=1S/C14H19BrN2O2/c1-10-6-11(15)8-17-13(10)19-12-7-14(18-9-12)2-4-16-5-3-14/h6,8,12,16H,2-5,7,9H2,1H3
InChIKeyBICCTBNOJJFGKS-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.44
Rot. Bonds2

About 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane

3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930435) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930435
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(Br)cnc1OC1COC2(CCNCC2)C1
InChIInChI=1S/C14H19BrN2O2/c1-10-6-11(15)8-17-13(10)19-12-7-14(18-9-12)2-4-16-5-3-14/h6,8,12,16H,2-5,7,9H2,1H3
InChIKeyBICCTBNOJJFGKS-UHFFFAOYSA-N
XLogP2.44
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(E)-2-[5-bromo-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 16221445
3-Bromo-2-(piperidin-4-yloxy)pyridine
CID 62342453
6-bromo-2H,3H,4H-pyrano[2,3-b]pyridine
CID 72212987
(3-((5-Bromo-3-methylpyridin-2-yl)oxy)propyl)dimethylamine
CID 104030726
N-(4-bromobenzyl)-2-(pyridin-2-yloxy)propan-1-amine
CID 71677591
3-Ethoxy-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 118746472
3-Bromo-2-(piperidin-4-yloxy)pyridine dihydrochloride
CID 165984948
3-Bromo-2-(piperidin-4-yloxy)pyridine hydrochloride
CID 71779117
N-[(4-bromophenyl)methyl]-2-pyridin-2-yloxypropan-1-amine;hydrochloride
CID 118741613
5-Methyl-2-(piperidin-4-yloxy)pyridine
CID 23133549
4-[2-[5-bromo-6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 91048351
Tert-butyl 4-[2-[5-bromo-3-(trifluoromethyl)pyridin-2-yl]oxyethoxy]piperidine-1-carboxylate
CID 117914060

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane (CID 102930435) is 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane is Cc1cc(Br)cnc1OC1COC2(CCNCC2)C1.
What is the InChIKey of 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is BICCTBNOJJFGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-6-11(15)8-17-13(10)19-12-7-14(18-9-12)2-4-16-5-3-14/h6,8,12,16H,2-5,7,9H2,1H3.
What are the key properties of 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane?
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 327.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).