6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid

C8H4F5NO3 — CID 134680955

IUPAC6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(OC(F)(F)F)cc(F)nc1CF
InChIInChI=1S/C8H4F5NO3/c9-2-3-6(7(15)16)4(1-5(10)14-3)17-8(11,12)13/h1H,2H2,(H,15,16)
InChIKeyMZNMYCQKBCXDBJ-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.29
Rot. Bonds3

About 6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid

6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 134680955) has the molecular formula C8H4F5NO3 and a molecular weight of 257.11 g/mol. Its IUPAC name is 6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID134680955
Molecular FormulaC8H4F5NO3
Molecular Weight257.11 g/mol
Exact Mass257.01
IUPAC Name6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(OC(F)(F)F)cc(F)nc1CF
InChIInChI=1S/C8H4F5NO3/c9-2-3-6(7(15)16)4(1-5(10)14-3)17-8(11,12)13/h1H,2H2,(H,15,16)
InChIKeyMZNMYCQKBCXDBJ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118995657
ethyl 2-(aminomethyl)-6-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664905
2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118836960
4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134665513
2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118849000
6-(bromomethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134667695
2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134666372
2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid
CID 155306258
5-(fluoromethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681650
methyl 6-(fluoromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661648
2-[6-fluoro-3-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134658688
2-fluoro-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134664924

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 134680955) is 6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid is O=C(O)c1c(OC(F)(F)F)cc(F)nc1CF.
What is the InChIKey of 6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is MZNMYCQKBCXDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO3/c9-2-3-6(7(15)16)4(1-5(10)14-3)17-8(11,12)13/h1H,2H2,(H,15,16).
What are the key properties of 6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 257.11 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 134680955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).