3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile

C6H3BrClN3 — CID 84819889

IUPAC3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile
SMILESCc1nc(C#N)c(Br)nc1Cl
InChIInChI=1S/C6H3BrClN3/c1-3-6(8)11-5(7)4(2-9)10-3/h1H3
InChIKeyNDVPBXFTAPSASC-UHFFFAOYSA-N
MW232.47 g/mol
LogP2.07
Rot. Bonds

About 3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile

3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile (PubChem CID 84819889) has the molecular formula C6H3BrClN3 and a molecular weight of 232.47 g/mol. Its IUPAC name is 3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile
PubChem CID84819889
Molecular FormulaC6H3BrClN3
Molecular Weight232.47 g/mol
Exact Mass230.92
IUPAC Name3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile
SMILESCc1nc(C#N)c(Br)nc1Cl
InChIInChI=1S/C6H3BrClN3/c1-3-6(8)11-5(7)4(2-9)10-3/h1H3
InChIKeyNDVPBXFTAPSASC-UHFFFAOYSA-N
XLogP2.07
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile?
The IUPAC name of 3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile (CID 84819889) is 3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile?
The canonical SMILES for 3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile is Cc1nc(C#N)c(Br)nc1Cl.
What is the InChIKey of 3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile?
The InChIKey is NDVPBXFTAPSASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN3/c1-3-6(8)11-5(7)4(2-9)10-3/h1H3.
What are the key properties of 3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile?
3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile has a molecular weight of 232.47 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-6-methylpyrazine-2-carbonitrile is sourced from PubChem (CID 84819889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).