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

C7H4F3NO3 — CID 121228473

IUPAC6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC(F)F)nc1F
InChIInChI=1S/C7H4F3NO3/c8-5-3(6(12)13)1-2-4(11-5)14-7(9)10/h1-2,7H,(H,12,13)
InChIKeyZGPVDOPPIHXVTO-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.52
Rot. Bonds3

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

6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid (PubChem CID 121228473) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid
PubChem CID121228473
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC(F)F)nc1F
InChIInChI=1S/C7H4F3NO3/c8-5-3(6(12)13)1-2-4(11-5)14-7(9)10/h1-2,7H,(H,12,13)
InChIKeyZGPVDOPPIHXVTO-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

2-fluoro-6-iodopyridine-3-carboxylic acid
CID 130769199
4-(difluoromethoxy)-2,3-difluorobenzoic acid
CID 46311566
2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
CID 86618835
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid
CID 133090291
3-(difluoromethoxy)-2,4-difluorobenzoic acid
CID 24721065
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
3-(difluoromethoxy)-4-fluoro-2-methylbenzoic acid
CID 131290834
4-(difluoromethoxy)-2-fluoro-3-methylbenzoic acid
CID 131290840
2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid
CID 175541249
3-(difluoromethoxy)-4-fluoro-2-formylbenzoic acid
CID 171025953
3-(difluoromethoxy)-6-fluoropyridine-2-carboxylic acid
CID 121228467
2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane
CID 159262243

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid?
The IUPAC name of 6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid (CID 121228473) is 6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid is O=C(O)c1ccc(OC(F)F)nc1F.
What is the InChIKey of 6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid?
The InChIKey is ZGPVDOPPIHXVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-5-3(6(12)13)1-2-4(11-5)14-7(9)10/h1-2,7H,(H,12,13).
What are the key properties of 6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid?
6-(difluoromethoxy)-2-fluoropyridine-3-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 6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 121228473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).