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

C8H4F5NO4 — CID 118814679

IUPAC6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(O)cc1OC(F)(F)F
InChIInChI=1S/C8H4F5NO4/c9-6(10)4-2(15)1-3(18-8(11,12)13)5(14-4)7(16)17/h1,6,15H,(H,16,17)
InChIKeyJNHYKWSSHPNFRP-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.32
Rot. Bonds3

About 6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid

6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 118814679) has the molecular formula C8H4F5NO4 and a molecular weight of 273.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID118814679
Molecular FormulaC8H4F5NO4
Molecular Weight273.11 g/mol
Exact Mass273.01
IUPAC Name6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)F)c(O)cc1OC(F)(F)F
InChIInChI=1S/C8H4F5NO4/c9-6(10)4-2(15)1-3(18-8(11,12)13)5(14-4)7(16)17/h1,6,15H,(H,16,17)
InChIKeyJNHYKWSSHPNFRP-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

6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118992472
6-(aminomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118819823
6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118803629
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118842664
6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid
CID 118831600
5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677795
5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134662164
6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 118826346
2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118838119
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide
CID 118808662
5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681405
5-amino-6-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 133085890

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 118814679) is 6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1nc(C(F)F)c(O)cc1OC(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is JNHYKWSSHPNFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO4/c9-6(10)4-2(15)1-3(18-8(11,12)13)5(14-4)7(16)17/h1,6,15H,(H,16,17).
What are the key properties of 6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid?
6-(difluoromethyl)-5-hydroxy-3-(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 6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 118814679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).