4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid

C9H6F5NO4 — CID 118828873

IUPAC4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESCOc1nc(OC(F)(F)F)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C9H6F5NO4/c1-18-7-5(8(16)17)3(6(10)11)2-4(15-7)19-9(12,13)14/h2,6H,1H3,(H,16,17)
InChIKeyGMVDHKZNJFRILT-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.62
Rot. Bonds4

About 4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid

4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 118828873) has the molecular formula C9H6F5NO4 and a molecular weight of 287.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID118828873
Molecular FormulaC9H6F5NO4
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESCOc1nc(OC(F)(F)F)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C9H6F5NO4/c1-18-7-5(8(16)17)3(6(10)11)2-4(15-7)19-9(12,13)14/h2,6H,1H3,(H,16,17)
InChIKeyGMVDHKZNJFRILT-UHFFFAOYSA-N
XLogP2.62
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
CID 118806000
4-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679479
4-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylic acid
CID 118812854
3-hydroxy-2-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134677673
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327
2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803490
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670626
4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118834996
ethyl 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677344
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid
CID 118845538
ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660628

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 118828873) is 4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid is COc1nc(OC(F)(F)F)cc(C(F)F)c1C(=O)O.
What is the InChIKey of 4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is GMVDHKZNJFRILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO4/c1-18-7-5(8(16)17)3(6(10)11)2-4(15-7)19-9(12,13)14/h2,6H,1H3,(H,16,17).
What are the key properties of 4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 287.14 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 118828873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).