6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid

C22H14F2N4O2 — CID 59399482

IUPAC6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N(c2ccccc2)c2cccc(-c3ccc(F)nc3F)n2)n1
InChIInChI=1S/C22H14F2N4O2/c23-18-13-12-15(21(24)27-18)16-8-4-10-19(25-16)28(14-6-2-1-3-7-14)20-11-5-9-17(26-20)22(29)30/h1-13H,(H,29,30)
InChIKeyIRUJCGNJABHUSQ-UHFFFAOYSA-N
MW404.38 g/mol
LogP4.98
Rot. Bonds5

About 6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid

6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid (PubChem CID 59399482) has the molecular formula C22H14F2N4O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is 6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid
PubChem CID59399482
Molecular FormulaC22H14F2N4O2
Molecular Weight404.38 g/mol
Exact Mass404.11
IUPAC Name6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N(c2ccccc2)c2cccc(-c3ccc(F)nc3F)n2)n1
InChIInChI=1S/C22H14F2N4O2/c23-18-13-12-15(21(24)27-18)16-8-4-10-19(25-16)28(14-6-2-1-3-7-14)20-11-5-9-17(26-20)22(29)30/h1-13H,(H,29,30)
InChIKeyIRUJCGNJABHUSQ-UHFFFAOYSA-N
XLogP4.98
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-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

Related Compounds

US10513493, Example 20
CID 118301993
6-[[2-(Dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521
6-{4-[6-(4-Fluoro-phenyl)-2-(2-(R)-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-3-(R)-methyl-piperazin-1-yl}-5-methyl-pyridine-2-carboxylic acid
CID 11562238
7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylic Acid
CID 11630097
5-[1-(2,5-Difluorobenzyl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]-pyridine-2-carboxylic acid
CID 24853332
6-Amino-3-(3-fluorophenyl)picolinic acid
CID 46314200
6-[2-[6-(2,6-Difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 58444383
6-[2-[6-(2,4-Difluorophenyl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 58640753
6-[7-Methyl-5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 58645492
6-[3-(Trifluoromethyl)anilino]-2-pyridinecarboxylic acid
CID 62253573
6-[(2,4-Difluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63642710
6-[(4-Fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63643772

Frequently Asked Questions

What is the IUPAC name of 6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid (CID 59399482) is 6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid is O=C(O)c1cccc(N(c2ccccc2)c2cccc(-c3ccc(F)nc3F)n2)n1.
What is the InChIKey of 6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid?
The InChIKey is IRUJCGNJABHUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O2/c23-18-13-12-15(21(24)27-18)16-8-4-10-19(25-16)28(14-6-2-1-3-7-14)20-11-5-9-17(26-20)22(29)30/h1-13H,(H,29,30).
What are the key properties of 6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid?
6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid has a molecular weight of 404.38 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]anilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 59399482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).