2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile

C12H8BrN3O2 — CID 107546049

IUPAC2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile
SMILESCOc1ccc(Oc2nccc(C#N)n2)c(Br)c1
InChIInChI=1S/C12H8BrN3O2/c1-17-9-2-3-11(10(13)6-9)18-12-15-5-4-8(7-14)16-12/h2-6H,1H3
InChIKeyZIVFVJCJILWRCG-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.91
Rot. Bonds3

About 2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile

2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile (PubChem CID 107546049) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile
PubChem CID107546049
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC Name2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile
SMILESCOc1ccc(Oc2nccc(C#N)n2)c(Br)c1
InChIInChI=1S/C12H8BrN3O2/c1-17-9-2-3-11(10(13)6-9)18-12-15-5-4-8(7-14)16-12/h2-6H,1H3
InChIKeyZIVFVJCJILWRCG-UHFFFAOYSA-N
XLogP2.91
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
CID 116798025
2-(4-bromo-3,5-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107723258
5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 104707141
2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
CID 107545693
2-(3-bromo-4-methoxyanilino)pyrimidine-4-carbonitrile
CID 107544716
2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545835
5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile
CID 114891095
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 104707588
2-naphthalen-1-yloxypyrimidine-4-carbonitrile
CID 107545702
2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107545976
2-(2,6-dibromo-4-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545902

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile (CID 107546049) is 2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile is COc1ccc(Oc2nccc(C#N)n2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile?
The InChIKey is ZIVFVJCJILWRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c1-17-9-2-3-11(10(13)6-9)18-12-15-5-4-8(7-14)16-12/h2-6H,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile?
2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile has a molecular weight of 306.12 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107546049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).