6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine

C11H10BrF2N3 — CID 114226394

IUPAC6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine
SMILESFC1(F)CCC(c2nc3ncc(Br)cc3[nH]2)C1
InChIInChI=1S/C11H10BrF2N3/c12-7-3-8-10(15-5-7)17-9(16-8)6-1-2-11(13,14)4-6/h3,5-6H,1-2,4H2,(H,15,16,17)
InChIKeyFKUDPJFHAJVMNZ-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.62
Rot. Bonds1

About 6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 114226394) has the molecular formula C11H10BrF2N3 and a molecular weight of 302.12 g/mol. Its IUPAC name is 6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine
PubChem CID114226394
Molecular FormulaC11H10BrF2N3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine
SMILESFC1(F)CCC(c2nc3ncc(Br)cc3[nH]2)C1
InChIInChI=1S/C11H10BrF2N3/c12-7-3-8-10(15-5-7)17-9(16-8)6-1-2-11(13,14)4-6/h3,5-6H,1-2,4H2,(H,15,16,17)
InChIKeyFKUDPJFHAJVMNZ-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Bromo-4-azabenzimidazole
CID 911578
3H-Imidazo(4,5-b)pyridine, 6-bromo-5-methyl-
CID 5310884
6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538774
7AH7G4DT2X
CID 56948407
5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 10307932
6-bromo-2-methyl-1H-imidazo(4,5-b)pyridine
CID 1958572
(1H-Imidazo(4,5-B)Pyridin-2-Yl)Methanamine
CID 17747911
6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538777
6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 6538778
6-Bromo-2-[1-Methyl-3-(Propan-2-Yl)-1h-Pyrazol-4-Yl]-1h-Imidazo[4,5-B]pyridine
CID 47052811
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(5-bromo-2-pyridyl)thiourea
CID 3001143
6-bromo-2-[(4-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
CID 708453

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine (CID 114226394) is 6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine is FC1(F)CCC(c2nc3ncc(Br)cc3[nH]2)C1.
What is the InChIKey of 6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is FKUDPJFHAJVMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3/c12-7-3-8-10(15-5-7)17-9(16-8)6-1-2-11(13,14)4-6/h3,5-6H,1-2,4H2,(H,15,16,17).
What are the key properties of 6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 302.12 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 114226394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).