2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine

C15H13ClN2O — CID 46177924

IUPAC2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine
SMILESCOc1nc(Cl)c(C)nc1C#Cc1ccc(C)cc1
InChIInChI=1S/C15H13ClN2O/c1-10-4-6-12(7-5-10)8-9-13-15(19-3)18-14(16)11(2)17-13/h4-7H,1-3H3
InChIKeyLHAQIRDZDFUHOY-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.16
Rot. Bonds1

About 2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine

2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine (PubChem CID 46177924) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine
PubChem CID46177924
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine
SMILESCOc1nc(Cl)c(C)nc1C#Cc1ccc(C)cc1
InChIInChI=1S/C15H13ClN2O/c1-10-4-6-12(7-5-10)8-9-13-15(19-3)18-14(16)11(2)17-13/h4-7H,1-3H3
InChIKeyLHAQIRDZDFUHOY-UHFFFAOYSA-N
XLogP3.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile
CID 118653036
1,3-bis[2-(4-methoxyphenyl)ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene
CID 159712013
1,3,5-trimethoxy-2,4,6-tris[2-(4-methylphenyl)ethynyl]benzene
CID 101355911
1,3-dimethoxy-5-[2-(4-methylphenyl)ethynyl]benzene
CID 146003189
N-(4-methoxyphenyl)-N-[4-[2-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]ethynyl]phenyl]-4-methylaniline
CID 18996688
1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethynyl]benzene
CID 159401504
2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine
CID 59654102
1-methyl-4-[6-(4-methylphenyl)hexa-1,3,5-triynyl]benzene
CID 58986470
4,5-dimethyl-2-[2-(4-methylphenyl)ethynyl]-1,3-thiazole
CID 118357331
2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
CID 46177844
1-methyl-4-[2-[2-(4-methylphenyl)ethynylsulfanyl]ethynyl]benzene
CID 71614566
2,4-dichloro-6-methoxy-5-methylpyrimidine
CID 118141128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine?
The IUPAC name of 2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine (CID 46177924) is 2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine.
What is the SMILES notation for 2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine?
The canonical SMILES for 2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine is COc1nc(Cl)c(C)nc1C#Cc1ccc(C)cc1.
What is the InChIKey of 2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine?
The InChIKey is LHAQIRDZDFUHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10-4-6-12(7-5-10)8-9-13-15(19-3)18-14(16)11(2)17-13/h4-7H,1-3H3.
What are the key properties of 2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine?
2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine has a molecular weight of 272.74 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-3-methyl-5-[2-(4-methylphenyl)ethynyl]pyrazine is sourced from PubChem (CID 46177924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).