2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid

C16H18FN3O3 — CID 44592261

IUPAC2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1NCc1cc(C(=O)O)cc(NCCO)n1
InChIInChI=1S/C16H18FN3O3/c1-10-6-12(17)2-3-14(10)19-9-13-7-11(16(22)23)8-15(20-13)18-4-5-21/h2-3,6-8,19,21H,4-5,9H2,1H3,(H,18,20)(H,22,23)
InChIKeyTYWQLFRYAYUDLZ-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.24
Rot. Bonds7

About 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid

2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid (PubChem CID 44592261) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid
PubChem CID44592261
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1NCc1cc(C(=O)O)cc(NCCO)n1
InChIInChI=1S/C16H18FN3O3/c1-10-6-12(17)2-3-14(10)19-9-13-7-11(16(22)23)8-15(20-13)18-4-5-21/h2-3,6-8,19,21H,4-5,9H2,1H3,(H,18,20)(H,22,23)
InChIKeyTYWQLFRYAYUDLZ-UHFFFAOYSA-N
XLogP2.24
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid (CID 44592261) is 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid is Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(NCCO)n1.
What is the InChIKey of 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid?
The InChIKey is TYWQLFRYAYUDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10-6-12(17)2-3-14(10)19-9-13-7-11(16(22)23)8-15(20-13)18-4-5-21/h2-3,6-8,19,21H,4-5,9H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid?
2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of 2.24, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylanilino)methyl]-6-(2-hydroxyethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 44592261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).