8-bromo-6-methyl-4-oxochromene-3-carbonitrile

C11H6BrNO2 — CID 82047688

IUPAC8-bromo-6-methyl-4-oxochromene-3-carbonitrile
SMILESCc1cc(Br)c2occ(C#N)c(=O)c2c1
InChIInChI=1S/C11H6BrNO2/c1-6-2-8-10(14)7(4-13)5-15-11(8)9(12)3-6/h2-3,5H,1H3
InChIKeyAHXNZKYJGONECE-UHFFFAOYSA-N
MW264.08 g/mol
LogP2.74
Rot. Bonds

About 8-bromo-6-methyl-4-oxochromene-3-carbonitrile

8-bromo-6-methyl-4-oxochromene-3-carbonitrile (PubChem CID 82047688) has the molecular formula C11H6BrNO2 and a molecular weight of 264.08 g/mol. Its IUPAC name is 8-bromo-6-methyl-4-oxochromene-3-carbonitrile.

Molecular Properties

Compound Name8-bromo-6-methyl-4-oxochromene-3-carbonitrile
PubChem CID82047688
Molecular FormulaC11H6BrNO2
Molecular Weight264.08 g/mol
Exact Mass262.96
IUPAC Name8-bromo-6-methyl-4-oxochromene-3-carbonitrile
SMILESCc1cc(Br)c2occ(C#N)c(=O)c2c1
InChIInChI=1S/C11H6BrNO2/c1-6-2-8-10(14)7(4-13)5-15-11(8)9(12)3-6/h2-3,5H,1H3
InChIKeyAHXNZKYJGONECE-UHFFFAOYSA-N
XLogP2.74
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-4-oxochromene-3-carbonitrile
CID 13428164
2-amino-7,9-dimethyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
CID 703042
5-methyl-1-benzofuran-3-carbonitrile
CID 82651994
6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile
CID 61474799
2-bromo-5-methylbenzonitrile
CID 12557201
methyl 7-bromo-3-methyl-1-benzofuran-5-carboxylate
CID 139561433
8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde
CID 30034673
methyl 6,8-dimethyl-4-oxochromene-3-carboxylate
CID 170871809
2,4-dibromo-5-methylbenzonitrile
CID 12580552
4-bromo-2,5-dimethylbenzonitrile
CID 56604249
6-methyl-2-oxochromene-4-carbonitrile
CID 12820495
1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 43155099

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-methyl-4-oxochromene-3-carbonitrile?
The IUPAC name of 8-bromo-6-methyl-4-oxochromene-3-carbonitrile (CID 82047688) is 8-bromo-6-methyl-4-oxochromene-3-carbonitrile.
What is the SMILES notation for 8-bromo-6-methyl-4-oxochromene-3-carbonitrile?
The canonical SMILES for 8-bromo-6-methyl-4-oxochromene-3-carbonitrile is Cc1cc(Br)c2occ(C#N)c(=O)c2c1.
What is the InChIKey of 8-bromo-6-methyl-4-oxochromene-3-carbonitrile?
The InChIKey is AHXNZKYJGONECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNO2/c1-6-2-8-10(14)7(4-13)5-15-11(8)9(12)3-6/h2-3,5H,1H3.
What are the key properties of 8-bromo-6-methyl-4-oxochromene-3-carbonitrile?
8-bromo-6-methyl-4-oxochromene-3-carbonitrile has a molecular weight of 264.08 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methyl-4-oxochromene-3-carbonitrile is sourced from PubChem (CID 82047688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).