5-chloro-2-methylpyrido[3,4-b]pyrazine

C8H6ClN3 — CID 12038531

IUPAC5-chloro-2-methylpyrido[3,4-b]pyrazine
SMILESCc1cnc2c(Cl)nccc2n1
InChIInChI=1S/C8H6ClN3/c1-5-4-11-7-6(12-5)2-3-10-8(7)9/h2-4H,1H3
InChIKeyIYGMHUPCSCEODV-UHFFFAOYSA-N
MW179.61 g/mol
LogP1.99
Rot. Bonds

About 5-chloro-2-methylpyrido[3,4-b]pyrazine

5-chloro-2-methylpyrido[3,4-b]pyrazine (PubChem CID 12038531) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 5-chloro-2-methylpyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-chloro-2-methylpyrido[3,4-b]pyrazine
PubChem CID12038531
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name5-chloro-2-methylpyrido[3,4-b]pyrazine
SMILESCc1cnc2c(Cl)nccc2n1
InChIInChI=1S/C8H6ClN3/c1-5-4-11-7-6(12-5)2-3-10-8(7)9/h2-4H,1H3
InChIKeyIYGMHUPCSCEODV-UHFFFAOYSA-N
XLogP1.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylpyrido[3,4-b]pyrazine?
The IUPAC name of 5-chloro-2-methylpyrido[3,4-b]pyrazine (CID 12038531) is 5-chloro-2-methylpyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-chloro-2-methylpyrido[3,4-b]pyrazine?
The canonical SMILES for 5-chloro-2-methylpyrido[3,4-b]pyrazine is Cc1cnc2c(Cl)nccc2n1.
What is the InChIKey of 5-chloro-2-methylpyrido[3,4-b]pyrazine?
The InChIKey is IYGMHUPCSCEODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c1-5-4-11-7-6(12-5)2-3-10-8(7)9/h2-4H,1H3.
What are the key properties of 5-chloro-2-methylpyrido[3,4-b]pyrazine?
5-chloro-2-methylpyrido[3,4-b]pyrazine has a molecular weight of 179.61 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylpyrido[3,4-b]pyrazine is sourced from PubChem (CID 12038531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).