2-[2-(chloromethyl)phenyl]pyrazine

C11H9ClN2 — CID 67883398

IUPAC2-[2-(chloromethyl)phenyl]pyrazine
SMILESClCc1ccccc1-c1cnccn1
InChIInChI=1S/C11H9ClN2/c12-7-9-3-1-2-4-10(9)11-8-13-5-6-14-11/h1-6,8H,7H2
InChIKeyGVXKAEPMZQQRLI-UHFFFAOYSA-N
MW204.66 g/mol
LogP2.88
Rot. Bonds2

About 2-[2-(chloromethyl)phenyl]pyrazine

2-[2-(chloromethyl)phenyl]pyrazine (PubChem CID 67883398) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-[2-(chloromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2-[2-(chloromethyl)phenyl]pyrazine
PubChem CID67883398
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name2-[2-(chloromethyl)phenyl]pyrazine
SMILESClCc1ccccc1-c1cnccn1
InChIInChI=1S/C11H9ClN2/c12-7-9-3-1-2-4-10(9)11-8-13-5-6-14-11/h1-6,8H,7H2
InChIKeyGVXKAEPMZQQRLI-UHFFFAOYSA-N
XLogP2.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)phenyl]pyrazine?
The IUPAC name of 2-[2-(chloromethyl)phenyl]pyrazine (CID 67883398) is 2-[2-(chloromethyl)phenyl]pyrazine.
What is the SMILES notation for 2-[2-(chloromethyl)phenyl]pyrazine?
The canonical SMILES for 2-[2-(chloromethyl)phenyl]pyrazine is ClCc1ccccc1-c1cnccn1.
What is the InChIKey of 2-[2-(chloromethyl)phenyl]pyrazine?
The InChIKey is GVXKAEPMZQQRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c12-7-9-3-1-2-4-10(9)11-8-13-5-6-14-11/h1-6,8H,7H2.
What are the key properties of 2-[2-(chloromethyl)phenyl]pyrazine?
2-[2-(chloromethyl)phenyl]pyrazine has a molecular weight of 204.66 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)phenyl]pyrazine is sourced from PubChem (CID 67883398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).