5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid

C12H9ClN2O4 — CID 62940447

IUPAC5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid
SMILESCn1ccnc(Oc2ccc(Cl)cc2C(=O)O)c1=O
InChIInChI=1S/C12H9ClN2O4/c1-15-5-4-14-10(11(15)16)19-9-3-2-7(13)6-8(9)12(17)18/h2-6H,1H3,(H,17,18)
InChIKeyFCBPDVULGVPEQI-UHFFFAOYSA-N
MW280.67 g/mol
LogP1.92
Rot. Bonds3

About 5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid

5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid (PubChem CID 62940447) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid
PubChem CID62940447
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid
SMILESCn1ccnc(Oc2ccc(Cl)cc2C(=O)O)c1=O
InChIInChI=1S/C12H9ClN2O4/c1-15-5-4-14-10(11(15)16)19-9-3-2-7(13)6-8(9)12(17)18/h2-6H,1H3,(H,17,18)
InChIKeyFCBPDVULGVPEQI-UHFFFAOYSA-N
XLogP1.92
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733253
3-(4-amino-2-chlorophenoxy)-1-methylpyrazin-2-one
CID 62939580
5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)oxybenzoic acid
CID 61395703
5-(4-methyl-3-oxopyrazin-2-yl)oxy-2-nitrobenzoic acid
CID 107077887
3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one
CID 55155057
5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid
CID 115298212
5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid
CID 61395721
3-[2-(aminomethyl)-3-chlorophenoxy]-1-methylpyrazin-2-one
CID 114323844
5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649327
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
3-(2-iodophenoxy)-1-methylpyrazin-2-one
CID 62939733
3-chloro-2-(2,5-dichlorophenoxy)pyridine-4-carboxylic acid
CID 107063256

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid?
The IUPAC name of 5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid (CID 62940447) is 5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid.
What is the SMILES notation for 5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid?
The canonical SMILES for 5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid is Cn1ccnc(Oc2ccc(Cl)cc2C(=O)O)c1=O.
What is the InChIKey of 5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid?
The InChIKey is FCBPDVULGVPEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c1-15-5-4-14-10(11(15)16)19-9-3-2-7(13)6-8(9)12(17)18/h2-6H,1H3,(H,17,18).
What are the key properties of 5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid?
5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid has a molecular weight of 280.67 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid is sourced from PubChem (CID 62940447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).