3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid

C14H14N2O3 — CID 82831120

IUPAC3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid
SMILESCc1cnc(C)c(Oc2cccc(C(=O)O)c2C)n1
InChIInChI=1S/C14H14N2O3/c1-8-7-15-10(3)13(16-8)19-12-6-4-5-11(9(12)2)14(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyYBSDGJYHPWBDRO-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.89
Rot. Bonds3

About 3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid

3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid (PubChem CID 82831120) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid.

Molecular Properties

Compound Name3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid
PubChem CID82831120
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid
SMILESCc1cnc(C)c(Oc2cccc(C(=O)O)c2C)n1
InChIInChI=1S/C14H14N2O3/c1-8-7-15-10(3)13(16-8)19-12-6-4-5-11(9(12)2)14(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyYBSDGJYHPWBDRO-UHFFFAOYSA-N
XLogP2.89
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid
CID 82830521
2-methyl-3-pyrido[2,3-b]pyrazin-6-yloxybenzoic acid
CID 82810748
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 82830819
3-(2,3-dimethylphenoxy)pyridazine-4-carboxylic acid
CID 80517433
3-acetyloxy-2-methylbenzoic acid
CID 3798557
2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
CID 102687093
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid
CID 82827217
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-2-methylbenzoic acid
CID 82830818
2-(3,6-dimethylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65416667
2-(2,3-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 55107905
3-[[5-(4-ethoxy-2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2-pyridinyl]oxy]-2-methylbenzoic acid
CID 155091127
3-acetyloxy-2-methylbenzoic acid;hydrochloride
CID 172770028

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid?
The IUPAC name of 3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid (CID 82831120) is 3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid.
What is the SMILES notation for 3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid?
The canonical SMILES for 3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid is Cc1cnc(C)c(Oc2cccc(C(=O)O)c2C)n1.
What is the InChIKey of 3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid?
The InChIKey is YBSDGJYHPWBDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-7-15-10(3)13(16-8)19-12-6-4-5-11(9(12)2)14(17)18/h4-7H,1-3H3,(H,17,18).
What are the key properties of 3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid?
3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid has a molecular weight of 258.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethylpyrazin-2-yl)oxy-2-methylbenzoic acid is sourced from PubChem (CID 82831120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).