6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid

C12H10FN3O3 — CID 66449876

IUPAC6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid
SMILESCOc1cc(F)ccc1Nc1cncc(C(=O)O)n1
InChIInChI=1S/C12H10FN3O3/c1-19-10-4-7(13)2-3-8(10)15-11-6-14-5-9(16-11)12(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyIWCDLJQLLPYRJE-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.07
Rot. Bonds4

About 6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid

6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid (PubChem CID 66449876) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid
PubChem CID66449876
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid
SMILESCOc1cc(F)ccc1Nc1cncc(C(=O)O)n1
InChIInChI=1S/C12H10FN3O3/c1-19-10-4-7(13)2-3-8(10)15-11-6-14-5-9(16-11)12(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyIWCDLJQLLPYRJE-UHFFFAOYSA-N
XLogP2.07
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2,4-difluoroanilino)pyrazine-2-carboxylate
CID 66457948
methyl 6-(4-chloro-2-fluoroanilino)pyrazine-2-carboxylate
CID 66451231
6-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
CID 107468727
6-[2-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 66451826
N-(4-fluoro-2-methoxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80904650
methyl 6-(2,3,5-trifluoroanilino)pyrazine-2-carboxylate
CID 66451689
methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate
CID 66457941
6-(2-chloro-3-methylanilino)pyrazine-2-carboxylic acid
CID 114250898
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
6-(3-methylanilino)pyrazine-2-carboxylic acid
CID 66455982
6-(2,3-dichloroanilino)pyrazine-2-carboxylic acid
CID 66458555

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid (CID 66449876) is 6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid is COc1cc(F)ccc1Nc1cncc(C(=O)O)n1.
What is the InChIKey of 6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid?
The InChIKey is IWCDLJQLLPYRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-19-10-4-7(13)2-3-8(10)15-11-6-14-5-9(16-11)12(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid?
6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid has a molecular weight of 263.23 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66449876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).