5-methylpyrazine-2-carboxylic acid;1,4-xylene

C14H16N2O2 — CID 174881923

IUPAC5-methylpyrazine-2-carboxylic acid;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1cnc(C(=O)O)cn1
InChIInChI=1S/C8H10.C6H6N2O2/c1-7-3-5-8(2)6-4-7;1-4-2-8-5(3-7-4)6(9)10/h3-6H,1-2H3;2-3H,1H3,(H,9,10)
InChIKeyVWLWRICOIUPGDS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.79
Rot. Bonds1

About 5-methylpyrazine-2-carboxylic acid;1,4-xylene

5-methylpyrazine-2-carboxylic acid;1,4-xylene (PubChem CID 174881923) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methylpyrazine-2-carboxylic acid;1,4-xylene.

Molecular Properties

Compound Name5-methylpyrazine-2-carboxylic acid;1,4-xylene
PubChem CID174881923
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methylpyrazine-2-carboxylic acid;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1cnc(C(=O)O)cn1
InChIInChI=1S/C8H10.C6H6N2O2/c1-7-3-5-8(2)6-4-7;1-4-2-8-5(3-7-4)6(9)10/h3-6H,1-2H3;2-3H,1H3,(H,9,10)
InChIKeyVWLWRICOIUPGDS-UHFFFAOYSA-N
XLogP2.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Benzoylpyrazine-2-carboxylic acid
CID 478004
AF-615/25002800
CID 4170119
5-Phenylpyrazine-2-carboxylic acid
CID 13317179
Sodium 6-phenylpyrazine-2-carboxylate
CID 168283430
Sodium 5-phenylpyrazine-2-carboxylate
CID 168295860
5-[3-(1-Pyrrolidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid
CID 77097061
5,6-Diphenyl-2-pyrazinecarboxylic acid
CID 10214728
5,6-Bis(4-methylphenyl)pyrazine-2-carboxylic acid
CID 59654098
5-[(4-Butylphenyl)-methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120689147
6-Phenylpyrazine-2-carboxylic acid
CID 13317180
5-[4-(Trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 21935676
5-(4-Fluorophenyl)pyrazine-2-carboxylic acid
CID 23080282

Frequently Asked Questions

What is the IUPAC name of 5-methylpyrazine-2-carboxylic acid;1,4-xylene?
The IUPAC name of 5-methylpyrazine-2-carboxylic acid;1,4-xylene (CID 174881923) is 5-methylpyrazine-2-carboxylic acid;1,4-xylene.
What is the SMILES notation for 5-methylpyrazine-2-carboxylic acid;1,4-xylene?
The canonical SMILES for 5-methylpyrazine-2-carboxylic acid;1,4-xylene is Cc1ccc(C)cc1.Cc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-methylpyrazine-2-carboxylic acid;1,4-xylene?
The InChIKey is VWLWRICOIUPGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H6N2O2/c1-7-3-5-8(2)6-4-7;1-4-2-8-5(3-7-4)6(9)10/h3-6H,1-2H3;2-3H,1H3,(H,9,10).
What are the key properties of 5-methylpyrazine-2-carboxylic acid;1,4-xylene?
5-methylpyrazine-2-carboxylic acid;1,4-xylene has a molecular weight of 244.29 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrazine-2-carboxylic acid;1,4-xylene is sourced from PubChem (CID 174881923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).