2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile

C8H7Cl2N3 — CID 130327045

IUPAC2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ncc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl2N3/c1-8(2,4-11)6-7(10)13-5(9)3-12-6/h3H,1-2H3
InChIKeyPUWBJOPMXLQCOK-UHFFFAOYSA-N
MW216.07 g/mol
LogP2.58
Rot. Bonds1

About 2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile

2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile (PubChem CID 130327045) has the molecular formula C8H7Cl2N3 and a molecular weight of 216.07 g/mol. Its IUPAC name is 2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile
PubChem CID130327045
Molecular FormulaC8H7Cl2N3
Molecular Weight216.07 g/mol
Exact Mass215.00
IUPAC Name2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ncc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl2N3/c1-8(2,4-11)6-7(10)13-5(9)3-12-6/h3H,1-2H3
InChIKeyPUWBJOPMXLQCOK-UHFFFAOYSA-N
XLogP2.58
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile
CID 127013942
2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile
CID 155858637
N-[1-[tert-butyl(dimethyl)silyl]oxy-2-(3,5-dichloropyrazin-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 140806199
2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile
CID 131271060
2-chloro-6-(2-cyanopropan-2-yl)pyridine-4-carboxylic acid
CID 156832623
2-methyl-2-(3-methyl-2-pyridinyl)propanenitrile
CID 53485450
2-(3-bromo-2-pyridinyl)-2-methylpropanenitrile
CID 86712398
5-chloro-2-(2-methylbutan-2-yl)pyridine-3-carbonitrile
CID 171648208
2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)-2-methylpropanenitrile
CID 162181529
2-(3,5-dichloro-2-pyridinyl)propan-2-amine
CID 130160714
6-chloro-3-(trifluoromethyl)pyrazin-2-amine
CID 134818825
5-chloro-3-methylpyrazin-2-amine
CID 53424289

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile (CID 130327045) is 2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile is CC(C)(C#N)c1ncc(Cl)nc1Cl.
What is the InChIKey of 2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile?
The InChIKey is PUWBJOPMXLQCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3/c1-8(2,4-11)6-7(10)13-5(9)3-12-6/h3H,1-2H3.
What are the key properties of 2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile?
2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile has a molecular weight of 216.07 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 130327045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).