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

C8H3F6NO3 — CID 134662164

IUPAC5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(OC(F)(F)F)nc1F
InChIInChI=1S/C8H3F6NO3/c9-4(10)2-1-3(7(16)17)5(11)15-6(2)18-8(12,13)14/h1,4H,(H,16,17)
InChIKeyPXSQTCNVPMJWKH-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.76
Rot. Bonds3

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

5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 134662164) has the molecular formula C8H3F6NO3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID134662164
Molecular FormulaC8H3F6NO3
Molecular Weight275.10 g/mol
Exact Mass275.00
IUPAC Name5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(OC(F)(F)F)nc1F
InChIInChI=1S/C8H3F6NO3/c9-4(10)2-1-3(7(16)17)5(11)15-6(2)18-8(12,13)14/h1,4H,(H,16,17)
InChIKeyPXSQTCNVPMJWKH-UHFFFAOYSA-N
XLogP2.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.76
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

ethyl 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677568
5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681405
3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134681070
6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118992472
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327
6-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118814679
5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677795
4-(difluoromethyl)-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805923
6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118808665
2-[5-(chloromethyl)-6-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134665410
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
CID 133105613

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 134662164) is 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid is O=C(O)c1cc(C(F)F)c(OC(F)(F)F)nc1F.
What is the InChIKey of 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is PXSQTCNVPMJWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO3/c9-4(10)2-1-3(7(16)17)5(11)15-6(2)18-8(12,13)14/h1,4H,(H,16,17).
What are the key properties of 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 275.10 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 134662164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).