6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid

C17H16F4N2O3 — CID 70270019

IUPAC6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOCCNc1nc(-c2ccc(C)c(F)c2)cc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C17H16F4N2O3/c1-9-3-4-10(7-12(9)18)13-8-11(17(19,20)21)14(16(24)25)15(23-13)22-5-6-26-2/h3-4,7-8H,5-6H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyNUHLZLQWCKADLL-UHFFFAOYSA-N
MW372.32 g/mol
LogP3.97
Rot. Bonds6

About 6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid

6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 70270019) has the molecular formula C17H16F4N2O3 and a molecular weight of 372.32 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID70270019
Molecular FormulaC17H16F4N2O3
Molecular Weight372.32 g/mol
Exact Mass372.11
IUPAC Name6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOCCNc1nc(-c2ccc(C)c(F)c2)cc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C17H16F4N2O3/c1-9-3-4-10(7-12(9)18)13-8-11(17(19,20)21)14(16(24)25)15(23-13)22-5-6-26-2/h3-4,7-8H,5-6H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyNUHLZLQWCKADLL-UHFFFAOYSA-N
XLogP3.97
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 70270019) is 6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid is COCCNc1nc(-c2ccc(C)c(F)c2)cc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is NUHLZLQWCKADLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O3/c1-9-3-4-10(7-12(9)18)13-8-11(17(19,20)21)14(16(24)25)15(23-13)22-5-6-26-2/h3-4,7-8H,5-6H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 372.32 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenyl)-2-(2-methoxyethylamino)-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 70270019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).