pyridine-2,3-dicarboxylic acid;hydrofluoride

C7H6FNO4 — CID 159031685

IUPACpyridine-2,3-dicarboxylic acid;hydrofluoride
SMILESF.O=C(O)c1cccnc1C(=O)O
InChIInChI=1S/C7H5NO4.FH/c9-6(10)4-2-1-3-8-5(4)7(11)12;/h1-3H,(H,9,10)(H,11,12);1H
InChIKeyNUQJSWOQCZRYSB-UHFFFAOYSA-N
MW187.13 g/mol
LogP0.63
Rot. Bonds2

About pyridine-2,3-dicarboxylic acid;hydrofluoride

pyridine-2,3-dicarboxylic acid;hydrofluoride (PubChem CID 159031685) has the molecular formula C7H6FNO4 and a molecular weight of 187.13 g/mol. Its IUPAC name is pyridine-2,3-dicarboxylic acid;hydrofluoride.

Molecular Properties

Compound Namepyridine-2,3-dicarboxylic acid;hydrofluoride
PubChem CID159031685
Molecular FormulaC7H6FNO4
Molecular Weight187.13 g/mol
Exact Mass187.03
IUPAC Namepyridine-2,3-dicarboxylic acid;hydrofluoride
SMILESF.O=C(O)c1cccnc1C(=O)O
InChIInChI=1S/C7H5NO4.FH/c9-6(10)4-2-1-3-8-5(4)7(11)12;/h1-3H,(H,9,10)(H,11,12);1H
InChIKeyNUQJSWOQCZRYSB-UHFFFAOYSA-N
XLogP0.63
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze pyridine-2,3-dicarboxylic acid;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridine-2,3-dicarboxylic acid
CID 1066
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
sodium;copper;hydride;phosphorous acid;pyridine-2,3-dicarboxylic acid
CID 175504102
pyridine-2,3-dicarboxylic acid;quinoline
CID 158705620
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
3-oxalopyridine-2-carboxylic acid
CID 15639413
2-(3-oxo-3-phenylpropanoyl)pyridine-3-carboxylic acid
CID 117063605
3-(4-fluorobenzoyl)pyridine-2-carboxylic acid
CID 10014744
2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 20750066
(3-carboxy-2-pyridinyl)astatine
CID 174507208
CID 119078369
CID 119078369
tetrakis(2-carboxypyridin-3-olate);iridium
CID 173055687

Frequently Asked Questions

What is the IUPAC name of pyridine-2,3-dicarboxylic acid;hydrofluoride?
The IUPAC name of pyridine-2,3-dicarboxylic acid;hydrofluoride (CID 159031685) is pyridine-2,3-dicarboxylic acid;hydrofluoride.
What is the SMILES notation for pyridine-2,3-dicarboxylic acid;hydrofluoride?
The canonical SMILES for pyridine-2,3-dicarboxylic acid;hydrofluoride is F.O=C(O)c1cccnc1C(=O)O.
What is the InChIKey of pyridine-2,3-dicarboxylic acid;hydrofluoride?
The InChIKey is NUQJSWOQCZRYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.FH/c9-6(10)4-2-1-3-8-5(4)7(11)12;/h1-3H,(H,9,10)(H,11,12);1H.
What are the key properties of pyridine-2,3-dicarboxylic acid;hydrofluoride?
pyridine-2,3-dicarboxylic acid;hydrofluoride has a molecular weight of 187.13 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,3-dicarboxylic acid;hydrofluoride is sourced from PubChem (CID 159031685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).