3,5-dichloro-6-methylpyrazine-2-carbonitrile

C6H3Cl2N3 — CID 84819871

IUPAC3,5-dichloro-6-methylpyrazine-2-carbonitrile
SMILESCc1nc(C#N)c(Cl)nc1Cl
InChIInChI=1S/C6H3Cl2N3/c1-3-5(7)11-6(8)4(2-9)10-3/h1H3
InChIKeyPAYYYFUGHRYJGP-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.96
Rot. Bonds

About 3,5-dichloro-6-methylpyrazine-2-carbonitrile

3,5-dichloro-6-methylpyrazine-2-carbonitrile (PubChem CID 84819871) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.02 g/mol. Its IUPAC name is 3,5-dichloro-6-methylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3,5-dichloro-6-methylpyrazine-2-carbonitrile
PubChem CID84819871
Molecular FormulaC6H3Cl2N3
Molecular Weight188.02 g/mol
Exact Mass186.97
IUPAC Name3,5-dichloro-6-methylpyrazine-2-carbonitrile
SMILESCc1nc(C#N)c(Cl)nc1Cl
InChIInChI=1S/C6H3Cl2N3/c1-3-5(7)11-6(8)4(2-9)10-3/h1H3
InChIKeyPAYYYFUGHRYJGP-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-methylpyrazine-2-carbonitrile?
The IUPAC name of 3,5-dichloro-6-methylpyrazine-2-carbonitrile (CID 84819871) is 3,5-dichloro-6-methylpyrazine-2-carbonitrile.
What is the SMILES notation for 3,5-dichloro-6-methylpyrazine-2-carbonitrile?
The canonical SMILES for 3,5-dichloro-6-methylpyrazine-2-carbonitrile is Cc1nc(C#N)c(Cl)nc1Cl.
What is the InChIKey of 3,5-dichloro-6-methylpyrazine-2-carbonitrile?
The InChIKey is PAYYYFUGHRYJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c1-3-5(7)11-6(8)4(2-9)10-3/h1H3.
What are the key properties of 3,5-dichloro-6-methylpyrazine-2-carbonitrile?
3,5-dichloro-6-methylpyrazine-2-carbonitrile has a molecular weight of 188.02 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-methylpyrazine-2-carbonitrile is sourced from PubChem (CID 84819871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).