3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid

C7H4F3NO3 — CID 121228467

IUPAC3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(F)ccc1OC(F)F
InChIInChI=1S/C7H4F3NO3/c8-4-2-1-3(14-7(9)10)5(11-4)6(12)13/h1-2,7H,(H,12,13)
InChIKeyTYBJKYTWCHZBFU-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.52
Rot. Bonds3

About 3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid

3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid (PubChem CID 121228467) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid
PubChem CID121228467
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(F)ccc1OC(F)F
InChIInChI=1S/C7H4F3NO3/c8-4-2-1-3(14-7(9)10)5(11-4)6(12)13/h1-2,7H,(H,12,13)
InChIKeyTYBJKYTWCHZBFU-UHFFFAOYSA-N
XLogP1.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.52
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

4-(difluoromethoxy)-2,3-difluorobenzoic acid
CID 46311566
3-propan-2-yloxypyridine-2,6-dicarboxylic acid
CID 141375769
4-(difluoromethoxy)-2-fluoro-3-methylbenzoic acid
CID 131290840
3-(difluoromethoxy)-6-fluoro-2-methylbenzoic acid
CID 131290839
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
4-(difluoromethoxy)-3-hydroxybenzoic acid
CID 59224129
4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid
CID 137484719
6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid
CID 121228473
2-(difluoromethoxy)-6-fluoro-3-iodopyridine
CID 119004423
5-amino-2-(difluoromethoxy)benzoic acid;hydrochloride
CID 50988657
4-(difluoromethoxy)-5-fluoropyridine-2-carboxylic acid
CID 121228470
3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid
CID 118823505

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid?
The IUPAC name of 3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid (CID 121228467) is 3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid is O=C(O)c1nc(F)ccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid?
The InChIKey is TYBJKYTWCHZBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-4-2-1-3(14-7(9)10)5(11-4)6(12)13/h1-2,7H,(H,12,13).
What are the key properties of 3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid?
3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid has a molecular weight of 207.11 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 121228467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).