5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid

C12H9FN2O2 — CID 90755010

IUPAC5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid
SMILESCc1cc(F)ccc1-c1cnc(C(=O)O)cn1
InChIInChI=1S/C12H9FN2O2/c1-7-4-8(13)2-3-9(7)10-5-15-11(6-14-10)12(16)17/h2-6H,1H3,(H,16,17)
InChIKeyZBWJYQGTRDWHCX-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.29
Rot. Bonds2

About 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid

5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid (PubChem CID 90755010) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid
PubChem CID90755010
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid
SMILESCc1cc(F)ccc1-c1cnc(C(=O)O)cn1
InChIInChI=1S/C12H9FN2O2/c1-7-4-8(13)2-3-9(7)10-5-15-11(6-14-10)12(16)17/h2-6H,1H3,(H,16,17)
InChIKeyZBWJYQGTRDWHCX-UHFFFAOYSA-N
XLogP2.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Benzoylpyrazine-2-carboxylic acid
CID 478004
5,6-Bis-(4-bromophenyl)-pyrazine-2-carboxylic acid
CID 69051372
5-Phenylpyrazine-2-carboxylic acid
CID 13317179
6-[4-[4-(Carboxymethyl)cyclohexyl]phenyl]-5-methylpyrazine-2-carboxylic acid
CID 71450045
Sodium 3-(2-methylphenyl)pyrazine-2-carboxylate
CID 168276804
Sodium 6-phenylpyrazine-2-carboxylate
CID 168283430
Sodium 5-phenylpyrazine-2-carboxylate
CID 168295860
3-Phenyl-2-pyrazinecarboxylic acid
CID 1512655
5-[3-(1-Pyrrolidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid
CID 77097061
6-[3-(Morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylicacid
CID 77093018
5,6-Diphenyl-2-pyrazinecarboxylic acid
CID 10214728
5,6-Bis(4-chlorophenyl)-pyrazine-2-carboxylic acid
CID 58662004

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid (CID 90755010) is 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid is Cc1cc(F)ccc1-c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid?
The InChIKey is ZBWJYQGTRDWHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-7-4-8(13)2-3-9(7)10-5-15-11(6-14-10)12(16)17/h2-6H,1H3,(H,16,17).
What are the key properties of 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid?
5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid has a molecular weight of 232.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 90755010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).