3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile

C15H8BrN3O — CID 62672685

IUPAC3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H8BrN3O/c16-14-11-4-2-1-3-10(11)5-6-13(14)20-15-12(9-17)18-7-8-19-15/h1-8H
InChIKeyBKHXCDHXMQEIDU-UHFFFAOYSA-N
MW326.15 g/mol
LogP4.06
Rot. Bonds2

About 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile

3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile (PubChem CID 62672685) has the molecular formula C15H8BrN3O and a molecular weight of 326.15 g/mol. Its IUPAC name is 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile
PubChem CID62672685
Molecular FormulaC15H8BrN3O
Molecular Weight326.15 g/mol
Exact Mass324.99
IUPAC Name3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H8BrN3O/c16-14-11-4-2-1-3-10(11)5-6-13(14)20-15-12(9-17)18-7-8-19-15/h1-8H
InChIKeyBKHXCDHXMQEIDU-UHFFFAOYSA-N
XLogP4.06
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide
CID 62684642
3-naphthalen-2-yloxypyrazine-2-carbonitrile
CID 60620344
3-(2-hydroxyphenoxy)pyrazine-2-carbonitrile
CID 62685184
4-bromo-2-(1-bromonaphthalen-2-yl)oxybenzonitrile
CID 114902438
3-(2-methylsulfanylphenoxy)pyrazine-2-carbonitrile
CID 63649826
2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide
CID 61028499
4-(1-bromonaphthalen-2-yl)oxypyrimidine
CID 61252042
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474
4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
CID 80866110
5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651
4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63735544
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile?
The IUPAC name of 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile (CID 62672685) is 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile is N#Cc1nccnc1Oc1ccc2ccccc2c1Br.
What is the InChIKey of 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile?
The InChIKey is BKHXCDHXMQEIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN3O/c16-14-11-4-2-1-3-10(11)5-6-13(14)20-15-12(9-17)18-7-8-19-15/h1-8H.
What are the key properties of 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile?
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile has a molecular weight of 326.15 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile is sourced from PubChem (CID 62672685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).