4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid

C8H5F5N2O3 — CID 118851166

IUPAC4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESNc1cc(C(F)F)nc(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H5F5N2O3/c9-5(10)3-1-2(14)4(7(16)17)6(15-3)18-8(11,12)13/h1,5H,(H2,14,15)(H,16,17)
InChIKeyYLBIGUUKIPILGZ-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.20
Rot. Bonds3

About 4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid

4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 118851166) has the molecular formula C8H5F5N2O3 and a molecular weight of 272.13 g/mol. Its IUPAC name is 4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID118851166
Molecular FormulaC8H5F5N2O3
Molecular Weight272.13 g/mol
Exact Mass272.02
IUPAC Name4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESNc1cc(C(F)F)nc(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H5F5N2O3/c9-5(10)3-1-2(14)4(7(16)17)6(15-3)18-8(11,12)13/h1,5H,(H2,14,15)(H,16,17)
InChIKeyYLBIGUUKIPILGZ-UHFFFAOYSA-N
XLogP2.20
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid
CID 118845538
2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118836960
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664307
4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118828873
6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134666314
4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118822759
2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803490
4-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118812999
5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134662164
2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118823621

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 118851166) is 4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid is Nc1cc(C(F)F)nc(OC(F)(F)F)c1C(=O)O.
What is the InChIKey of 4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is YLBIGUUKIPILGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O3/c9-5(10)3-1-2(14)4(7(16)17)6(15-3)18-8(11,12)13/h1,5H,(H2,14,15)(H,16,17).
What are the key properties of 4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid?
4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 272.13 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 118851166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).