3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid

C8H5F5N2O2 — CID 134658740

IUPAC3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESNc1cc(C(F)(F)F)c(C(F)F)nc1C(=O)O
InChIInChI=1S/C8H5F5N2O2/c9-6(10)4-2(8(11,12)13)1-3(14)5(15-4)7(16)17/h1,6H,14H2,(H,16,17)
InChIKeyHNZRRVVMWMUAJC-UHFFFAOYSA-N
MW256.13 g/mol
LogP2.32
Rot. Bonds2

About 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid

3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 134658740) has the molecular formula C8H5F5N2O2 and a molecular weight of 256.13 g/mol. Its IUPAC name is 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID134658740
Molecular FormulaC8H5F5N2O2
Molecular Weight256.13 g/mol
Exact Mass256.03
IUPAC Name3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESNc1cc(C(F)(F)F)c(C(F)F)nc1C(=O)O
InChIInChI=1S/C8H5F5N2O2/c9-6(10)4-2(8(11,12)13)1-3(14)5(15-4)7(16)17/h1,6H,14H2,(H,16,17)
InChIKeyHNZRRVVMWMUAJC-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 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 134658740) is 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid is Nc1cc(C(F)(F)F)c(C(F)F)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is HNZRRVVMWMUAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O2/c9-6(10)4-2(8(11,12)13)1-3(14)5(15-4)7(16)17/h1,6H,14H2,(H,16,17).
What are the key properties of 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-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 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134658740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).