5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid

C8H4F5NO4 — CID 134677793

IUPAC5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)c(OC(F)(F)F)c1O
InChIInChI=1S/C8H4F5NO4/c9-6(10)2-1-14-3(7(16)17)4(15)5(2)18-8(11,12)13/h1,6,15H,(H,16,17)
InChIKeyIGQIYENOPJBKCT-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.32
Rot. Bonds3

About 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid

5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 134677793) has the molecular formula C8H4F5NO4 and a molecular weight of 273.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID134677793
Molecular FormulaC8H4F5NO4
Molecular Weight273.11 g/mol
Exact Mass273.01
IUPAC Name5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)c(OC(F)(F)F)c1O
InChIInChI=1S/C8H4F5NO4/c9-6(10)2-1-14-3(7(16)17)4(15)5(2)18-8(11,12)13/h1,6,15H,(H,16,17)
InChIKeyIGQIYENOPJBKCT-UHFFFAOYSA-N
XLogP2.32
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134666145
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134659071
4-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118824021
2-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118804455
5-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670456
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118827001
2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118842473
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134661368
2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118842969
4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805459
4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118828504
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 134677793) is 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncc(C(F)F)c(OC(F)(F)F)c1O.
What is the InChIKey of 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is IGQIYENOPJBKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO4/c9-6(10)2-1-14-3(7(16)17)4(15)5(2)18-8(11,12)13/h1,6,15H,(H,16,17).
What are the key properties of 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid?
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 273.11 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 134677793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).