5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile

C12H5BrN4O — CID 133491376

IUPAC5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Oc2ccc(Br)cc2C#N)cn1
InChIInChI=1S/C12H5BrN4O/c13-9-1-2-11(8(3-9)4-14)18-12-7-16-10(5-15)6-17-12/h1-3,6-7H
InChIKeyLKAPGAMXNZPALO-UHFFFAOYSA-N
MW301.10 g/mol
LogP2.77
Rot. Bonds2

About 5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile

5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile (PubChem CID 133491376) has the molecular formula C12H5BrN4O and a molecular weight of 301.10 g/mol. Its IUPAC name is 5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile
PubChem CID133491376
Molecular FormulaC12H5BrN4O
Molecular Weight301.10 g/mol
Exact Mass299.96
IUPAC Name5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Oc2ccc(Br)cc2C#N)cn1
InChIInChI=1S/C12H5BrN4O/c13-9-1-2-11(8(3-9)4-14)18-12-7-16-10(5-15)6-17-12/h1-3,6-7H
InChIKeyLKAPGAMXNZPALO-UHFFFAOYSA-N
XLogP2.77
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 104707141
5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile
CID 116541439
5-(2-amino-3-hydroxyphenoxy)pyrazine-2-carbonitrile
CID 137013341
5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile
CID 114891095
5-bromo-2-(3,5-difluorophenoxy)benzonitrile
CID 114891054
5-bromo-2-(3,5-dichlorophenoxy)benzonitrile
CID 114891024
5-bromo-2-(1-methylpyrazol-4-yl)oxybenzonitrile
CID 114891101
5-bromo-2-(4-bromo-3-methylphenoxy)benzonitrile
CID 114891091
5-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxybenzonitrile
CID 114891103
5-bromo-2-(2-fluoroethoxy)benzonitrile
CID 80601674
5-bromo-2-prop-2-ynoxybenzonitrile
CID 83145923
2-[2-(5-cyanopyrazin-2-yl)oxyphenyl]acetic acid
CID 80742082

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile (CID 133491376) is 5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile is N#Cc1cnc(Oc2ccc(Br)cc2C#N)cn1.
What is the InChIKey of 5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile?
The InChIKey is LKAPGAMXNZPALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrN4O/c13-9-1-2-11(8(3-9)4-14)18-12-7-16-10(5-15)6-17-12/h1-3,6-7H.
What are the key properties of 5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile?
5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile has a molecular weight of 301.10 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 133491376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).