2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine

C19H17ClN2 — CID 59654102

IUPAC2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine
SMILESCc1ccc(-c2nc(C)c(Cl)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17ClN2/c1-12-4-8-15(9-5-12)17-18(22-19(20)14(3)21-17)16-10-6-13(2)7-11-16/h4-11H,1-3H3
InChIKeyMTJGGFXYQPVPDN-UHFFFAOYSA-N
MW308.81 g/mol
LogP5.39
Rot. Bonds2

About 2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine

2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine (PubChem CID 59654102) has the molecular formula C19H17ClN2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine
PubChem CID59654102
Molecular FormulaC19H17ClN2
Molecular Weight308.81 g/mol
Exact Mass308.11
IUPAC Name2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine
SMILESCc1ccc(-c2nc(C)c(Cl)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H17ClN2/c1-12-4-8-15(9-5-12)17-18(22-19(20)14(3)21-17)16-10-6-13(2)7-11-16/h4-11H,1-3H3
InChIKeyMTJGGFXYQPVPDN-UHFFFAOYSA-N
XLogP5.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.81
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-methyl-6-(4-methylphenyl)pyrimidine
CID 18448402
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
CID 82121831
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
CID 69141126
2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 57100935
3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione
CID 138484311
4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
CID 80550164
5-chloro-8-(4-methylphenyl)pyrido[2,3-d]pyridazine
CID 10634780
2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
CID 155576945
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857
2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine
CID 143714645
1-methyl-3,4-bis(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 57259792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine?
The IUPAC name of 2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine (CID 59654102) is 2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine.
What is the SMILES notation for 2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine?
The canonical SMILES for 2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine is Cc1ccc(-c2nc(C)c(Cl)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine?
The InChIKey is MTJGGFXYQPVPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2/c1-12-4-8-15(9-5-12)17-18(22-19(20)14(3)21-17)16-10-6-13(2)7-11-16/h4-11H,1-3H3.
What are the key properties of 2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine?
2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine has a molecular weight of 308.81 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-5,6-bis(4-methylphenyl)pyrazine is sourced from PubChem (CID 59654102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).