2-chloro-5-ethynylpyrazine

C6H3ClN2 — CID 71299556

IUPAC2-chloro-5-ethynylpyrazine
SMILESC#Cc1cnc(Cl)cn1
InChIInChI=1S/C6H3ClN2/c1-2-5-3-9-6(7)4-8-5/h1,3-4H
InChIKeyDMJYCNHBBHKMPC-UHFFFAOYSA-N
MW138.56 g/mol
LogP1.11
Rot. Bonds

About 2-chloro-5-ethynylpyrazine

2-chloro-5-ethynylpyrazine (PubChem CID 71299556) has the molecular formula C6H3ClN2 and a molecular weight of 138.56 g/mol. Its IUPAC name is 2-chloro-5-ethynylpyrazine.

Molecular Properties

Compound Name2-chloro-5-ethynylpyrazine
PubChem CID71299556
Molecular FormulaC6H3ClN2
Molecular Weight138.56 g/mol
Exact Mass138.00
IUPAC Name2-chloro-5-ethynylpyrazine
SMILESC#Cc1cnc(Cl)cn1
InChIInChI=1S/C6H3ClN2/c1-2-5-3-9-6(7)4-8-5/h1,3-4H
InChIKeyDMJYCNHBBHKMPC-UHFFFAOYSA-N
XLogP1.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.56
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
2-Ethynylpyrazine
CID 15639205
5-Chloropyrazine-2,3-dicarbonitrile
CID 12907197
5-Chloro-2,3-dimethylpyrazine
CID 12600390
2-(Chloromethyl)-5-methylpyrazine
CID 13221025
Pyrazine, 2-(chloromethyl)-
CID 170169
2-Chloro-3,5-dimethylpyrazine
CID 11672680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethynylpyrazine?
The IUPAC name of 2-chloro-5-ethynylpyrazine (CID 71299556) is 2-chloro-5-ethynylpyrazine.
What is the SMILES notation for 2-chloro-5-ethynylpyrazine?
The canonical SMILES for 2-chloro-5-ethynylpyrazine is C#Cc1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-ethynylpyrazine?
The InChIKey is DMJYCNHBBHKMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2/c1-2-5-3-9-6(7)4-8-5/h1,3-4H.
What are the key properties of 2-chloro-5-ethynylpyrazine?
2-chloro-5-ethynylpyrazine has a molecular weight of 138.56 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethynylpyrazine is sourced from PubChem (CID 71299556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).