2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid

C19H16FN3O3 — CID 135520465

IUPAC2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ccc(O)c(-c3ccc(C(=O)O)c(N)n3)c2)c(F)c1
InChIInChI=1S/C19H16FN3O3/c1-10-2-5-16(14(20)8-10)22-11-3-7-17(24)13(9-11)15-6-4-12(19(25)26)18(21)23-15/h2-9,22,24H,1H3,(H2,21,23)(H,25,26)
InChIKeyVTNKDRPECYPFJX-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.93
Rot. Bonds4

About 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid

2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid (PubChem CID 135520465) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid
PubChem CID135520465
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ccc(O)c(-c3ccc(C(=O)O)c(N)n3)c2)c(F)c1
InChIInChI=1S/C19H16FN3O3/c1-10-2-5-16(14(20)8-10)22-11-3-7-17(24)13(9-11)15-6-4-12(19(25)26)18(21)23-15/h2-9,22,24H,1H3,(H2,21,23)(H,25,26)
InChIKeyVTNKDRPECYPFJX-UHFFFAOYSA-N
XLogP3.93
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid (CID 135520465) is 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid is Cc1ccc(Nc2ccc(O)c(-c3ccc(C(=O)O)c(N)n3)c2)c(F)c1.
What is the InChIKey of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid?
The InChIKey is VTNKDRPECYPFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-10-2-5-16(14(20)8-10)22-11-3-7-17(24)13(9-11)15-6-4-12(19(25)26)18(21)23-15/h2-9,22,24H,1H3,(H2,21,23)(H,25,26).
What are the key properties of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid?
2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid has a molecular weight of 353.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 135520465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).