2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid

C12H11F5N2O4 — CID 57291717

IUPAC2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid
SMILESCC(C)Nc1c(C(=O)O)c(C(F)F)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C12H11F5N2O4/c1-3(2)18-6-4(10(20)21)7(9(13)14)19-8(12(15,16)17)5(6)11(22)23/h3,9H,1-2H3,(H,18,19)(H,20,21)(H,22,23)
InChIKeyDZGAFDUCOUILHF-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.25
Rot. Bonds5

About 2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid

2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid (PubChem CID 57291717) has the molecular formula C12H11F5N2O4 and a molecular weight of 342.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid
PubChem CID57291717
Molecular FormulaC12H11F5N2O4
Molecular Weight342.22 g/mol
Exact Mass342.06
IUPAC Name2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid
SMILESCC(C)Nc1c(C(=O)O)c(C(F)F)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C12H11F5N2O4/c1-3(2)18-6-4(10(20)21)7(9(13)14)19-8(12(15,16)17)5(6)11(22)23/h3,9H,1-2H3,(H,18,19)(H,20,21)(H,22,23)
InChIKeyDZGAFDUCOUILHF-UHFFFAOYSA-N
XLogP3.25
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid (CID 57291717) is 2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid is CC(C)Nc1c(C(=O)O)c(C(F)F)nc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
The InChIKey is DZGAFDUCOUILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N2O4/c1-3(2)18-6-4(10(20)21)7(9(13)14)19-8(12(15,16)17)5(6)11(22)23/h3,9H,1-2H3,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid?
2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid has a molecular weight of 342.22 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(propan-2-ylamino)-6-(trifluoromethyl)pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 57291717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).