2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid

C11H6BrN3O2 — CID 114888528

IUPAC2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid
SMILESN#Cc1nccn1-c1cccc(Br)c1C(=O)O
InChIInChI=1S/C11H6BrN3O2/c12-7-2-1-3-8(10(7)11(16)17)15-5-4-14-9(15)6-13/h1-5H,(H,16,17)
InChIKeyJNSRRDNILHSIKZ-UHFFFAOYSA-N
MW292.09 g/mol
LogP2.20
Rot. Bonds2

About 2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid

2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid (PubChem CID 114888528) has the molecular formula C11H6BrN3O2 and a molecular weight of 292.09 g/mol. Its IUPAC name is 2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid
PubChem CID114888528
Molecular FormulaC11H6BrN3O2
Molecular Weight292.09 g/mol
Exact Mass290.96
IUPAC Name2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid
SMILESN#Cc1nccn1-c1cccc(Br)c1C(=O)O
InChIInChI=1S/C11H6BrN3O2/c12-7-2-1-3-8(10(7)11(16)17)15-5-4-14-9(15)6-13/h1-5H,(H,16,17)
InChIKeyJNSRRDNILHSIKZ-UHFFFAOYSA-N
XLogP2.20
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)imidazole-2-carbonitrile
CID 84671921
2-bromo-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid
CID 114888036
2-bromo-6-(1-methylimidazol-2-yl)sulfanylbenzoic acid
CID 114888741
1-(5-bromo-4-fluoro-2-nitrophenyl)imidazole-2-carbonitrile
CID 116739747
2-bromo-6-(4-iodopyrazol-1-yl)benzoic acid
CID 114888525
1-imidazo[1,2-a]pyridin-5-ylimidazole-2-carbonitrile
CID 102627004
2-(2-bromoimidazol-1-yl)benzonitrile
CID 83382745
1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile
CID 112678369
1-(4-fluorophenyl)imidazole-2-carbonitrile
CID 84660888
2-bromo-6-(4-tert-butylpiperidin-1-yl)benzoic acid
CID 114888088
2-amino-6-bromobenzoic acid
CID 10560649
2-bromo-6-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703891

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid?
The IUPAC name of 2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid (CID 114888528) is 2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid.
What is the SMILES notation for 2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid?
The canonical SMILES for 2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid is N#Cc1nccn1-c1cccc(Br)c1C(=O)O.
What is the InChIKey of 2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid?
The InChIKey is JNSRRDNILHSIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O2/c12-7-2-1-3-8(10(7)11(16)17)15-5-4-14-9(15)6-13/h1-5H,(H,16,17).
What are the key properties of 2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid?
2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid has a molecular weight of 292.09 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-cyanoimidazol-1-yl)benzoic acid is sourced from PubChem (CID 114888528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).