2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid

C14H13FN2O4 — CID 105381770

IUPAC2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCOc1ccc(OC)c(Nc2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C14H13FN2O4/c1-20-8-3-4-11(21-2)10(7-8)17-13-12(15)9(14(18)19)5-6-16-13/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyQRHVSWYRUGJODD-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.68
Rot. Bonds5

About 2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid

2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105381770) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
PubChem CID105381770
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCOc1ccc(OC)c(Nc2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C14H13FN2O4/c1-20-8-3-4-11(21-2)10(7-8)17-13-12(15)9(14(18)19)5-6-16-13/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyQRHVSWYRUGJODD-UHFFFAOYSA-N
XLogP2.68
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381743
2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
2-(2,5-dimethoxyanilino)pyridine-3-carboxylate
CID 7130288
3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 105382448
5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid
CID 81447017
2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 107468706
2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 178064922
2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382099
3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866752
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
CID 105379912
2-(3-bromo-4-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382643
3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 82817759

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid (CID 105381770) is 2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid is COc1ccc(OC)c(Nc2nccc(C(=O)O)c2F)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is QRHVSWYRUGJODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-20-8-3-4-11(21-2)10(7-8)17-13-12(15)9(14(18)19)5-6-16-13/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid?
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105381770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).