cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate

C13H14BrN3O2 — CID 154645899

IUPACcyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate
SMILESO=C(OC1CCCCC1)n1cnc2ncc(Br)cc21
InChIInChI=1S/C13H14BrN3O2/c14-9-6-11-12(15-7-9)16-8-17(11)13(18)19-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyNGHMKQGPNQEDJI-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.51
Rot. Bonds1

About cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate

cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate (PubChem CID 154645899) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate
PubChem CID154645899
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Namecyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate
SMILESO=C(OC1CCCCC1)n1cnc2ncc(Br)cc21
InChIInChI=1S/C13H14BrN3O2/c14-9-6-11-12(15-7-9)16-8-17(11)13(18)19-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyNGHMKQGPNQEDJI-UHFFFAOYSA-N
XLogP3.51
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-Bromoimidazo[1,5-a]pyridin-5-yl)-2,2-dimethylpiperazine-1-carboxylic acid
CID 154702349
6-bromo-2,3-dimethyl-3H-imidazo[4,5-b]pyridine
CID 12182933
6-Bromo-3-ethyl-3H-imidazo[4,5-b]pyridine
CID 23298303
tert-butyl N-({6-bromo-1H-imidazo[4,5-b]pyridin-2-yl}methyl)carbamate
CID 22308601
6-Bromo-1,2-dimethyl-imidazo[4,5-b]pyridine
CID 84071602
2-Bromopyrido[1,2-a]benzimidazole
CID 101540613
2-(cyclopentyloxy)-3-methyl-3H-imidazo[4,5-b]pyridine
CID 126854440
6-Bromo-3-(ethoxymethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 15767494
[6-bromo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazo[4,5-b]pyridin-1-yl] N,N-dimethylcarbamate
CID 20359919
6-Bromo-3-(3-fluorophenyl)imidazo[4,5-b]pyridine
CID 59815647
Tert-butyl (6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)(2,2-difluoroethyl)carbamate
CID 89036525
Tert-butyl (6-bromoimidazo[1,2-a]pyridin-8-yl)(2,2-difluoroethyl)carbamate
CID 89036526

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate?
The IUPAC name of cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate (CID 154645899) is cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate.
What is the SMILES notation for cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate?
The canonical SMILES for cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate is O=C(OC1CCCCC1)n1cnc2ncc(Br)cc21.
What is the InChIKey of cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate?
The InChIKey is NGHMKQGPNQEDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-9-6-11-12(15-7-9)16-8-17(11)13(18)19-10-4-2-1-3-5-10/h6-8,10H,1-5H2.
What are the key properties of cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate?
cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate has a molecular weight of 324.18 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 6-bromoimidazo[4,5-b]pyridine-1-carboxylate is sourced from PubChem (CID 154645899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).