4-chloropyridine-2,3-dicarboxylic acid;hydrate

C7H6ClNO5 — CID 141172424

IUPAC4-chloropyridine-2,3-dicarboxylic acid;hydrate
SMILESO.O=C(O)c1nccc(Cl)c1C(=O)O
InChIInChI=1S/C7H4ClNO4.H2O/c8-3-1-2-9-5(7(12)13)4(3)6(10)11;/h1-2H,(H,10,11)(H,12,13);1H2
InChIKeyGSWGYHJMMUNQJA-UHFFFAOYSA-N
MW219.58 g/mol
LogP0.31
Rot. Bonds2

About 4-chloropyridine-2,3-dicarboxylic acid;hydrate

4-chloropyridine-2,3-dicarboxylic acid;hydrate (PubChem CID 141172424) has the molecular formula C7H6ClNO5 and a molecular weight of 219.58 g/mol. Its IUPAC name is 4-chloropyridine-2,3-dicarboxylic acid;hydrate.

Molecular Properties

Compound Name4-chloropyridine-2,3-dicarboxylic acid;hydrate
PubChem CID141172424
Molecular FormulaC7H6ClNO5
Molecular Weight219.58 g/mol
Exact Mass218.99
IUPAC Name4-chloropyridine-2,3-dicarboxylic acid;hydrate
SMILESO.O=C(O)c1nccc(Cl)c1C(=O)O
InChIInChI=1S/C7H4ClNO4.H2O/c8-3-1-2-9-5(7(12)13)4(3)6(10)11;/h1-2H,(H,10,11)(H,12,13);1H2
InChIKeyGSWGYHJMMUNQJA-UHFFFAOYSA-N
XLogP0.31
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.58
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloropyridine-2,3-dicarboxylic acid;zinc
CID 156700438
3,4-dichloropyridine-2-carboxylic acid;hydrate
CID 141213155
4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride
CID 155943900
4-chloro-3-methylpyridine-2-carboxylic acid;ethane
CID 143215962
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine
CID 175064916
6-chloro-1-methylisoquinoline-5-carboxylic acid
CID 115033045
3-chloro-4-(chloromethyl)pyridine-2-carboxylic acid
CID 174890326
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
4-chloro-3-phenylpyridine-2-carbonyl chloride
CID 133097772
CID 11251659
CID 11251659
4-chloro-2-phenylpyridine-3-carbonyl chloride
CID 118845105

Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine-2,3-dicarboxylic acid;hydrate?
The IUPAC name of 4-chloropyridine-2,3-dicarboxylic acid;hydrate (CID 141172424) is 4-chloropyridine-2,3-dicarboxylic acid;hydrate.
What is the SMILES notation for 4-chloropyridine-2,3-dicarboxylic acid;hydrate?
The canonical SMILES for 4-chloropyridine-2,3-dicarboxylic acid;hydrate is O.O=C(O)c1nccc(Cl)c1C(=O)O.
What is the InChIKey of 4-chloropyridine-2,3-dicarboxylic acid;hydrate?
The InChIKey is GSWGYHJMMUNQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO4.H2O/c8-3-1-2-9-5(7(12)13)4(3)6(10)11;/h1-2H,(H,10,11)(H,12,13);1H2.
What are the key properties of 4-chloropyridine-2,3-dicarboxylic acid;hydrate?
4-chloropyridine-2,3-dicarboxylic acid;hydrate has a molecular weight of 219.58 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine-2,3-dicarboxylic acid;hydrate is sourced from PubChem (CID 141172424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).