2-(2-chloroethyl)-5-methylpyrazine;hydrochloride

C7H10Cl2N2 — CID 75480801

IUPAC2-(2-chloroethyl)-5-methylpyrazine;hydrochloride
SMILESCc1cnc(CCCl)cn1.Cl
InChIInChI=1S/C7H9ClN2.ClH/c1-6-4-10-7(2-3-8)5-9-6;/h4-5H,2-3H2,1H3;1H
InChIKeyHOVLROSYRAVVQI-UHFFFAOYSA-N
MW193.08 g/mol
LogP1.99
Rot. Bonds2

About 2-(2-chloroethyl)-5-methylpyrazine;hydrochloride

2-(2-chloroethyl)-5-methylpyrazine;hydrochloride (PubChem CID 75480801) has the molecular formula C7H10Cl2N2 and a molecular weight of 193.08 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-methylpyrazine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-methylpyrazine;hydrochloride
PubChem CID75480801
Molecular FormulaC7H10Cl2N2
Molecular Weight193.08 g/mol
Exact Mass192.02
IUPAC Name2-(2-chloroethyl)-5-methylpyrazine;hydrochloride
SMILESCc1cnc(CCCl)cn1.Cl
InChIInChI=1S/C7H9ClN2.ClH/c1-6-4-10-7(2-3-8)5-9-6;/h4-5H,2-3H2,1H3;1H
InChIKeyHOVLROSYRAVVQI-UHFFFAOYSA-N
XLogP1.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 51.99
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-chloroethyl)-5-methylpyrazine;hydrochloride?
The IUPAC name of 2-(2-chloroethyl)-5-methylpyrazine;hydrochloride (CID 75480801) is 2-(2-chloroethyl)-5-methylpyrazine;hydrochloride.
What is the SMILES notation for 2-(2-chloroethyl)-5-methylpyrazine;hydrochloride?
The canonical SMILES for 2-(2-chloroethyl)-5-methylpyrazine;hydrochloride is Cc1cnc(CCCl)cn1.Cl.
What is the InChIKey of 2-(2-chloroethyl)-5-methylpyrazine;hydrochloride?
The InChIKey is HOVLROSYRAVVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2.ClH/c1-6-4-10-7(2-3-8)5-9-6;/h4-5H,2-3H2,1H3;1H.
What are the key properties of 2-(2-chloroethyl)-5-methylpyrazine;hydrochloride?
2-(2-chloroethyl)-5-methylpyrazine;hydrochloride has a molecular weight of 193.08 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-methylpyrazine;hydrochloride is sourced from PubChem (CID 75480801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).