5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid

C8H5F2NO5 — CID 23233931

IUPAC5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid
SMILESCOc1nc(F)c(F)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C8H5F2NO5/c1-16-6-3(8(14)15)2(7(12)13)4(9)5(10)11-6/h1H3,(H,12,13)(H,14,15)
InChIKeyUYQBQDRBDQYOAX-UHFFFAOYSA-N
MW233.13 g/mol
LogP0.76
Rot. Bonds3

About 5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid

5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid (PubChem CID 23233931) has the molecular formula C8H5F2NO5 and a molecular weight of 233.13 g/mol. Its IUPAC name is 5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid
PubChem CID23233931
Molecular FormulaC8H5F2NO5
Molecular Weight233.13 g/mol
Exact Mass233.01
IUPAC Name5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid
SMILESCOc1nc(F)c(F)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C8H5F2NO5/c1-16-6-3(8(14)15)2(7(12)13)4(9)5(10)11-6/h1H3,(H,12,13)(H,14,15)
InChIKeyUYQBQDRBDQYOAX-UHFFFAOYSA-N
XLogP0.76
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-6-fluoro-2-methoxypyridine-3-carboxylic acid
CID 118806000
6-methoxy-4-methylpyridine-2,5-dicarboxylic acid
CID 91509956
6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid
CID 172832533
2-methoxy-6-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 82389554
4-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylic acid
CID 118812854
4-amino-6-(difluoromethyl)-2-methoxypyridine-3-carboxylic acid
CID 118845538
(Z)-4-hydroxy-3-(2,3,5,6-tetrafluoro-4-pyridinyl)pent-3-en-2-one
CID 169008965
6-amino-4-chloro-2-methoxypyridine-3-carboxylic acid
CID 70318637
ethane;2,3,5,6-tetrafluoroterephthalic acid
CID 142538632
mercury;3,4,5,6-tetrafluorophthalic acid
CID 87844638
5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid
CID 117127348
6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 178173665

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid?
The IUPAC name of 5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid (CID 23233931) is 5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid.
What is the SMILES notation for 5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid?
The canonical SMILES for 5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid is COc1nc(F)c(F)c(C(=O)O)c1C(=O)O.
What is the InChIKey of 5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid?
The InChIKey is UYQBQDRBDQYOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO5/c1-16-6-3(8(14)15)2(7(12)13)4(9)5(10)11-6/h1H3,(H,12,13)(H,14,15).
What are the key properties of 5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid?
5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid has a molecular weight of 233.13 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-methoxypyridine-3,4-dicarboxylic acid is sourced from PubChem (CID 23233931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).