2-(chloromethyl)-5-methylpyrazine

C6H7ClN2 — CID 13221025

IUPAC2-(chloromethyl)-5-methylpyrazine
SMILESCc1cnc(CCl)cn1
InChIInChI=1S/C6H7ClN2/c1-5-3-9-6(2-7)4-8-5/h3-4H,2H2,1H3
InChIKeyDDGKEWIOOGLGAK-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.52
Rot. Bonds1

About 2-(chloromethyl)-5-methylpyrazine

2-(chloromethyl)-5-methylpyrazine (PubChem CID 13221025) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methylpyrazine
PubChem CID13221025
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name2-(chloromethyl)-5-methylpyrazine
SMILESCc1cnc(CCl)cn1
InChIInChI=1S/C6H7ClN2/c1-5-3-9-6(2-7)4-8-5/h3-4H,2H2,1H3
InChIKeyDDGKEWIOOGLGAK-UHFFFAOYSA-N
XLogP1.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethylpyrazine
CID 31252
2,6-Dimethylpyrazine
CID 7938
Trimethylpyrazine
CID 26808
2-Methylpyrazine
CID 7976
2,3-Dimethylpyrazine
CID 22201
6-Chloropyrazine-2-carbonitrile
CID 81303
Pyrazine, 2-chloro-3-methyl-
CID 66769
5-Chloropyrazine-2-carbonitrile
CID 12295728
3-Chloropyrazine-2-carbonitrile
CID 292465
3-Chloro-2,5-dimethylpyrazine
CID 66771
2-Chloro-6-methylpyrazine
CID 7170095
Pyrazine, 2-chloro-3-ethyl-
CID 113222

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methylpyrazine?
The IUPAC name of 2-(chloromethyl)-5-methylpyrazine (CID 13221025) is 2-(chloromethyl)-5-methylpyrazine.
What is the SMILES notation for 2-(chloromethyl)-5-methylpyrazine?
The canonical SMILES for 2-(chloromethyl)-5-methylpyrazine is Cc1cnc(CCl)cn1.
What is the InChIKey of 2-(chloromethyl)-5-methylpyrazine?
The InChIKey is DDGKEWIOOGLGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-5-3-9-6(2-7)4-8-5/h3-4H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methylpyrazine?
2-(chloromethyl)-5-methylpyrazine has a molecular weight of 142.59 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methylpyrazine is sourced from PubChem (CID 13221025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).