2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile

C7H6ClN3 — CID 84765349

IUPAC2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile
SMILESCc1nc(CC#N)cnc1Cl
InChIInChI=1S/C7H6ClN3/c1-5-7(8)10-4-6(11-5)2-3-9/h4H,2H2,1H3
InChIKeyAPFHSCBOVDKPTH-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.50
Rot. Bonds1

About 2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile

2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile (PubChem CID 84765349) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile
PubChem CID84765349
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile
SMILESCc1nc(CC#N)cnc1Cl
InChIInChI=1S/C7H6ClN3/c1-5-7(8)10-4-6(11-5)2-3-9/h4H,2H2,1H3
InChIKeyAPFHSCBOVDKPTH-UHFFFAOYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dichloroquinoxalin-2-yl)acetonitrile
CID 126511430
2-chloro-3,5-dimethylpyrazine
CID 11672680
2-(5,6,7,8-tetrahydroquinoxalin-2-yl)acetonitrile
CID 84766467
2-(5-methyl-2-pyridinyl)acetonitrile
CID 583430
2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile
CID 130081064
2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130069314
2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 119024134
2-[4-bromo-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 118817667
2-pteridin-7-ylacetonitrile
CID 68740704
2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130097680
2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile
CID 118828135
2-(4-amino-5-methyl-2-pyridinyl)acetonitrile
CID 118851159

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile?
The IUPAC name of 2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile (CID 84765349) is 2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile?
The canonical SMILES for 2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile is Cc1nc(CC#N)cnc1Cl.
What is the InChIKey of 2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile?
The InChIKey is APFHSCBOVDKPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-5-7(8)10-4-6(11-5)2-3-9/h4H,2H2,1H3.
What are the key properties of 2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile?
2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile has a molecular weight of 167.60 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile is sourced from PubChem (CID 84765349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).