5-chloro-2,3-dimethylpyrazine

C6H7ClN2 — CID 12600390

IUPAC5-chloro-2,3-dimethylpyrazine
SMILESCc1ncc(Cl)nc1C
InChIInChI=1S/C6H7ClN2/c1-4-5(2)9-6(7)3-8-4/h3H,1-2H3
InChIKeyMEWMQKSSLANHCR-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.75
Rot. Bonds

About 5-chloro-2,3-dimethylpyrazine

5-chloro-2,3-dimethylpyrazine (PubChem CID 12600390) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 5-chloro-2,3-dimethylpyrazine.

Molecular Properties

Compound Name5-chloro-2,3-dimethylpyrazine
PubChem CID12600390
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name5-chloro-2,3-dimethylpyrazine
SMILESCc1ncc(Cl)nc1C
InChIInChI=1S/C6H7ClN2/c1-4-5(2)9-6(7)3-8-4/h3H,1-2H3
InChIKeyMEWMQKSSLANHCR-UHFFFAOYSA-N
XLogP1.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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 5-chloro-2,3-dimethylpyrazine?
The IUPAC name of 5-chloro-2,3-dimethylpyrazine (CID 12600390) is 5-chloro-2,3-dimethylpyrazine.
What is the SMILES notation for 5-chloro-2,3-dimethylpyrazine?
The canonical SMILES for 5-chloro-2,3-dimethylpyrazine is Cc1ncc(Cl)nc1C.
What is the InChIKey of 5-chloro-2,3-dimethylpyrazine?
The InChIKey is MEWMQKSSLANHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-4-5(2)9-6(7)3-8-4/h3H,1-2H3.
What are the key properties of 5-chloro-2,3-dimethylpyrazine?
5-chloro-2,3-dimethylpyrazine has a molecular weight of 142.59 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethylpyrazine is sourced from PubChem (CID 12600390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).