2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid

C19H14F2N2O2 — CID 24988658

IUPAC2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid
SMILESCc1c(-c2ccccc2)cc(F)c(Nc2ncccc2C(=O)O)c1F
InChIInChI=1S/C19H14F2N2O2/c1-11-14(12-6-3-2-4-7-12)10-15(20)17(16(11)21)23-18-13(19(24)25)8-5-9-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyCMKGHBBSEPWJQJ-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.78
Rot. Bonds4

About 2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid

2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid (PubChem CID 24988658) has the molecular formula C19H14F2N2O2 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid
PubChem CID24988658
Molecular FormulaC19H14F2N2O2
Molecular Weight340.33 g/mol
Exact Mass340.10
IUPAC Name2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid
SMILESCc1c(-c2ccccc2)cc(F)c(Nc2ncccc2C(=O)O)c1F
InChIInChI=1S/C19H14F2N2O2/c1-11-14(12-6-3-2-4-7-12)10-15(20)17(16(11)21)23-18-13(19(24)25)8-5-9-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyCMKGHBBSEPWJQJ-UHFFFAOYSA-N
XLogP4.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid (CID 24988658) is 2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid is Cc1c(-c2ccccc2)cc(F)c(Nc2ncccc2C(=O)O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid?
The InChIKey is CMKGHBBSEPWJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2/c1-11-14(12-6-3-2-4-7-12)10-15(20)17(16(11)21)23-18-13(19(24)25)8-5-9-22-18/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid?
2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid has a molecular weight of 340.33 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methyl-4-phenylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 24988658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).