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

C8H5F5N2O2 — CID 118822759

IUPAC4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESNc1cc(C(F)(F)F)nc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H5F5N2O2/c9-6(10)5-4(7(16)17)2(14)1-3(15-5)8(11,12)13/h1,6H,(H2,14,15)(H,16,17)
InChIKeySFRNGSRVDZDMRL-UHFFFAOYSA-N
MW256.13 g/mol
LogP2.32
Rot. Bonds2

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

4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118822759) has the molecular formula C8H5F5N2O2 and a molecular weight of 256.13 g/mol. Its IUPAC name is 4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID118822759
Molecular FormulaC8H5F5N2O2
Molecular Weight256.13 g/mol
Exact Mass256.03
IUPAC Name4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESNc1cc(C(F)(F)F)nc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H5F5N2O2/c9-6(10)5-4(7(16)17)2(14)1-3(15-5)8(11,12)13/h1,6H,(H2,14,15)(H,16,17)
InChIKeySFRNGSRVDZDMRL-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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Related Compounds

3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134684920
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118846701
3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134658740
6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid
CID 165461594
2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118809632
2-(difluoromethyl)-4-iodo-6-(trifluoromethyl)pyridin-3-amine
CID 130105387
4-amino-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118851166
2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803490
3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098782
4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674290
2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridin-3-amine
CID 130106010
3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103937

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 118822759) is 4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is Nc1cc(C(F)(F)F)nc(C(F)F)c1C(=O)O.
What is the InChIKey of 4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is SFRNGSRVDZDMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O2/c9-6(10)5-4(7(16)17)2(14)1-3(15-5)8(11,12)13/h1,6H,(H2,14,15)(H,16,17).
What are the key properties of 4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
4-amino-2-(difluoromethyl)-6-(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 4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118822759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).