6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid

C18H13F3N2O2 — CID 91186579

IUPAC6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid
SMILESC=CC=C(C(=C)F)c1nc(Nc2c(F)cccc2F)ccc1C(=O)O
InChIInChI=1S/C18H13F3N2O2/c1-3-5-11(10(2)19)16-12(18(24)25)8-9-15(22-16)23-17-13(20)6-4-7-14(17)21/h3-9H,1-2H2,(H,22,23)(H,24,25)
InChIKeyDFALFRIQEWGEIM-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.85
Rot. Bonds6

About 6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid

6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid (PubChem CID 91186579) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid
PubChem CID91186579
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid
SMILESC=CC=C(C(=C)F)c1nc(Nc2c(F)cccc2F)ccc1C(=O)O
InChIInChI=1S/C18H13F3N2O2/c1-3-5-11(10(2)19)16-12(18(24)25)8-9-15(22-16)23-17-13(20)6-4-7-14(17)21/h3-9H,1-2H2,(H,22,23)(H,24,25)
InChIKeyDFALFRIQEWGEIM-UHFFFAOYSA-N
XLogP4.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid (CID 91186579) is 6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid is C=CC=C(C(=C)F)c1nc(Nc2c(F)cccc2F)ccc1C(=O)O.
What is the InChIKey of 6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid?
The InChIKey is DFALFRIQEWGEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-3-5-11(10(2)19)16-12(18(24)25)8-9-15(22-16)23-17-13(20)6-4-7-14(17)21/h3-9H,1-2H2,(H,22,23)(H,24,25).
What are the key properties of 6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid?
6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid has a molecular weight of 346.31 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoroanilino)-2-(2-fluorohexa-1,3,5-trien-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 91186579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).