2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile

C14H15BrN2 — CID 167530689

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile
SMILESN#Cc1cc(Br)ccc1N1CCC2(CC1)CC2
InChIInChI=1S/C14H15BrN2/c15-12-1-2-13(11(9-12)10-16)17-7-5-14(3-4-14)6-8-17/h1-2,9H,3-8H2
InChIKeyILRZRSOSTLVPLU-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.70
Rot. Bonds1

About 2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile

2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile (PubChem CID 167530689) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile
PubChem CID167530689
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile
SMILESN#Cc1cc(Br)ccc1N1CCC2(CC1)CC2
InChIInChI=1S/C14H15BrN2/c15-12-1-2-13(11(9-12)10-16)17-7-5-14(3-4-14)6-8-17/h1-2,9H,3-8H2
InChIKeyILRZRSOSTLVPLU-UHFFFAOYSA-N
XLogP3.70
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(4,4-difluoropiperidin-1-yl)benzonitrile
CID 86811090
5-bromo-2-[4-methyl-4-(methylamino)piperidin-1-yl]benzonitrile
CID 114894160
5-bromo-2-(4-cyclopropylpiperazin-1-yl)benzonitrile
CID 113238334
5-amino-2-(8-azaspiro[4.5]decan-8-yl)benzonitrile
CID 63160684
5-bromo-2-[4-(dimethylamino)piperidin-1-yl]benzonitrile
CID 86811095
5-bromo-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 114890510
5-bromo-2-fluorobenzonitrile;5-bromo-2-morpholin-4-ylbenzonitrile
CID 162241536
5-bromo-2-[4-(cyclopropylmethyl)piperazin-1-yl]benzonitrile
CID 112694683
2-(azocan-1-yl)-4-bromobenzonitrile
CID 112694673
5-bromo-2-(4-butan-2-ylpiperazin-1-yl)benzonitrile
CID 114890643
4-bromo-2-(7,7-dimethyl-1,4-thiazepan-4-yl)benzonitrile
CID 107454974
5-amino-2-(4,4-dimethylpiperidin-1-yl)benzonitrile
CID 55155544

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile (CID 167530689) is 2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile is N#Cc1cc(Br)ccc1N1CCC2(CC1)CC2.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile?
The InChIKey is ILRZRSOSTLVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-12-1-2-13(11(9-12)10-16)17-7-5-14(3-4-14)6-8-17/h1-2,9H,3-8H2.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile?
2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile has a molecular weight of 291.19 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile is sourced from PubChem (CID 167530689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).