5-methyl-2-pyrazin-2-ylbenzoic acid

C12H10N2O2 — CID 81111608

IUPAC5-methyl-2-pyrazin-2-ylbenzoic acid
SMILESCc1ccc(-c2cnccn2)c(C(=O)O)c1
InChIInChI=1S/C12H10N2O2/c1-8-2-3-9(10(6-8)12(15)16)11-7-13-4-5-14-11/h2-7H,1H3,(H,15,16)
InChIKeyQRGPXIQNRDVPBO-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.15
Rot. Bonds2

About 5-methyl-2-pyrazin-2-ylbenzoic acid

5-methyl-2-pyrazin-2-ylbenzoic acid (PubChem CID 81111608) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-methyl-2-pyrazin-2-ylbenzoic acid.

Molecular Properties

Compound Name5-methyl-2-pyrazin-2-ylbenzoic acid
PubChem CID81111608
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5-methyl-2-pyrazin-2-ylbenzoic acid
SMILESCc1ccc(-c2cnccn2)c(C(=O)O)c1
InChIInChI=1S/C12H10N2O2/c1-8-2-3-9(10(6-8)12(15)16)11-7-13-4-5-14-11/h2-7H,1H3,(H,15,16)
InChIKeyQRGPXIQNRDVPBO-UHFFFAOYSA-N
XLogP2.15
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-4-methylphenyl)pyrazine
CID 175164456
5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid
CID 115374996
3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53223423
ethane;2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoic acid;5-methyl-2-pyridin-2-ylbenzoic acid
CID 145383263
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
tert-butyl 5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoate;5-methyl-2-[(5-methyl-6-pyrazin-2-yl-3-pyridinyl)amino]benzoic acid
CID 67395507
2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid
CID 53226704
5-methyl-2-thiophen-3-ylbenzoic acid
CID 53224821
2-(3,4-diethylphenyl)-5-methylbenzoic acid
CID 115482487
5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid
CID 156842800
5-methyl-N-phenyl-2-pyridin-2-ylbenzamide
CID 102459618
2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid
CID 83068338

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrazin-2-ylbenzoic acid?
The IUPAC name of 5-methyl-2-pyrazin-2-ylbenzoic acid (CID 81111608) is 5-methyl-2-pyrazin-2-ylbenzoic acid.
What is the SMILES notation for 5-methyl-2-pyrazin-2-ylbenzoic acid?
The canonical SMILES for 5-methyl-2-pyrazin-2-ylbenzoic acid is Cc1ccc(-c2cnccn2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-pyrazin-2-ylbenzoic acid?
The InChIKey is QRGPXIQNRDVPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-2-3-9(10(6-8)12(15)16)11-7-13-4-5-14-11/h2-7H,1H3,(H,15,16).
What are the key properties of 5-methyl-2-pyrazin-2-ylbenzoic acid?
5-methyl-2-pyrazin-2-ylbenzoic acid has a molecular weight of 214.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrazin-2-ylbenzoic acid is sourced from PubChem (CID 81111608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).