2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid

C14H10FN3O3 — CID 107468706

IUPAC2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCOc1cccc(C#N)c1Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C14H10FN3O3/c1-21-10-4-2-3-8(7-16)12(10)18-13-11(15)9(14(19)20)5-6-17-13/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyWICYYRYLFFJFEA-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.54
Rot. Bonds4

About 2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid

2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 107468706) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid
PubChem CID107468706
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCOc1cccc(C#N)c1Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C14H10FN3O3/c1-21-10-4-2-3-8(7-16)12(10)18-13-11(15)9(14(19)20)5-6-17-13/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyWICYYRYLFFJFEA-UHFFFAOYSA-N
XLogP2.54
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
CID 107468716
3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid
CID 107468702
N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 107467316
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 107469806
6-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
CID 107468727
2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381743
2-[(5-bromopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107469799
2-[(5-aminopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107466532
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
2-(3-ethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382099
2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid
CID 105380007
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid (CID 107468706) is 2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid is COc1cccc(C#N)c1Nc1nccc(C(=O)O)c1F.
What is the InChIKey of 2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is WICYYRYLFFJFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c1-21-10-4-2-3-8(7-16)12(10)18-13-11(15)9(14(19)20)5-6-17-13/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid?
2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 287.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 107468706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).