2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid

C8H5F5N2O2 — CID 118990891

IUPAC2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESNc1ncc(C(F)(F)F)c(C(F)F)c1C(=O)O
InChIInChI=1S/C8H5F5N2O2/c9-5(10)3-2(8(11,12)13)1-15-6(14)4(3)7(16)17/h1,5H,(H2,14,15)(H,16,17)
InChIKeyPBLFWVRCWAXJFF-UHFFFAOYSA-N
MW256.13 g/mol
LogP2.32
Rot. Bonds2

About 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid

2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118990891) has the molecular formula C8H5F5N2O2 and a molecular weight of 256.13 g/mol. Its IUPAC name is 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID118990891
Molecular FormulaC8H5F5N2O2
Molecular Weight256.13 g/mol
Exact Mass256.03
IUPAC Name2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESNc1ncc(C(F)(F)F)c(C(F)F)c1C(=O)O
InChIInChI=1S/C8H5F5N2O2/c9-5(10)3-2(8(11,12)13)1-15-6(14)4(3)7(16)17/h1,5H,(H2,14,15)(H,16,17)
InChIKeyPBLFWVRCWAXJFF-UHFFFAOYSA-N
XLogP2.32
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 118990891) is 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid is Nc1ncc(C(F)(F)F)c(C(F)F)c1C(=O)O.
What is the InChIKey of 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is PBLFWVRCWAXJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O2/c9-5(10)3-2(8(11,12)13)1-15-6(14)4(3)7(16)17/h1,5H,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 256.13 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118990891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).