4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid

C8H4F5NO3 — CID 118821925

IUPAC4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OC(F)F)c(C(F)(F)F)cn1
InChIInChI=1S/C8H4F5NO3/c9-7(10)17-5-1-4(6(15)16)14-2-3(5)8(11,12)13/h1-2,7H,(H,15,16)
InChIKeyCQLYSSLUMFGYLW-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.40
Rot. Bonds3

About 4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid

4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 118821925) has the molecular formula C8H4F5NO3 and a molecular weight of 257.11 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID118821925
Molecular FormulaC8H4F5NO3
Molecular Weight257.11 g/mol
Exact Mass257.01
IUPAC Name4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(OC(F)F)c(C(F)(F)F)cn1
InChIInChI=1S/C8H4F5NO3/c9-7(10)17-5-1-4(6(15)16)14-2-3(5)8(11,12)13/h1-2,7H,(H,15,16)
InChIKeyCQLYSSLUMFGYLW-UHFFFAOYSA-N
XLogP2.40
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 118821925) is 4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(OC(F)F)c(C(F)(F)F)cn1.
What is the InChIKey of 4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is CQLYSSLUMFGYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO3/c9-7(10)17-5-1-4(6(15)16)14-2-3(5)8(11,12)13/h1-2,7H,(H,15,16).
What are the key properties of 4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 257.11 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118821925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).