benzotriazol-1-yl-(5-bromofuran-2-yl)methanone

C11H6BrN3O2 — CID 871570

IUPACbenzotriazol-1-yl-(5-bromofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)o1)n1nnc2ccccc21
InChIInChI=1S/C11H6BrN3O2/c12-10-6-5-9(17-10)11(16)15-8-4-2-1-3-7(8)13-14-15/h1-6H
InChIKeyIKNULUNMDGUJRH-UHFFFAOYSA-N
MW292.09 g/mol
LogP2.48
Rot. Bonds1

About benzotriazol-1-yl-(5-bromofuran-2-yl)methanone

benzotriazol-1-yl-(5-bromofuran-2-yl)methanone (PubChem CID 871570) has the molecular formula C11H6BrN3O2 and a molecular weight of 292.09 g/mol. Its IUPAC name is benzotriazol-1-yl-(5-bromofuran-2-yl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(5-bromofuran-2-yl)methanone
PubChem CID871570
Molecular FormulaC11H6BrN3O2
Molecular Weight292.09 g/mol
Exact Mass290.96
IUPAC Namebenzotriazol-1-yl-(5-bromofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)o1)n1nnc2ccccc21
InChIInChI=1S/C11H6BrN3O2/c12-10-6-5-9(17-10)11(16)15-8-4-2-1-3-7(8)13-14-15/h1-6H
InChIKeyIKNULUNMDGUJRH-UHFFFAOYSA-N
XLogP2.48
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Furoyl)-1H-benzotriazole
CID 792914
5-bromo-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2-furamide
CID 3236674
(4-Benzotriazol-1-yl-piperidin-1-yl)-furan-2-yl-methanone
CID 652257
5-bromo-N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 1363275
1-Benzofuran-2-yl(benzotriazol-1-yl)methanone
CID 2365243
Cambridge id 6172553
CID 875336
2-(Benzotriazol-1-ylmethyl)furan
CID 3724645
5-bromo-N-{2-[4-(dimethylamino)phenyl]-2H-1,2,3-benzotriazol-5-yl}-2-furamide
CID 1215877
1-(5-nitro-2-furoyl)-1H-1,2,3-benzotriazole
CID 840000
5-bromo-N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]furan-2-carboxamide
CID 1142661
(5-Chlorobenzotriazol-1-yl)-(furan-2-yl)methanone
CID 3127208
(2E)-1-(1H-1,2,3-Benzotriazol-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 5736958

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(5-bromofuran-2-yl)methanone?
The IUPAC name of benzotriazol-1-yl-(5-bromofuran-2-yl)methanone (CID 871570) is benzotriazol-1-yl-(5-bromofuran-2-yl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(5-bromofuran-2-yl)methanone?
The canonical SMILES for benzotriazol-1-yl-(5-bromofuran-2-yl)methanone is O=C(c1ccc(Br)o1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(5-bromofuran-2-yl)methanone?
The InChIKey is IKNULUNMDGUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O2/c12-10-6-5-9(17-10)11(16)15-8-4-2-1-3-7(8)13-14-15/h1-6H.
What are the key properties of benzotriazol-1-yl-(5-bromofuran-2-yl)methanone?
benzotriazol-1-yl-(5-bromofuran-2-yl)methanone has a molecular weight of 292.09 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 871570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).