3,4-dichloropyridine-2-carboxylic acid;hydrate

C6H5Cl2NO3 — CID 141213155

IUPAC3,4-dichloropyridine-2-carboxylic acid;hydrate
SMILESO.O=C(O)c1nccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2NO2.H2O/c7-3-1-2-9-5(4(3)8)6(10)11;/h1-2H,(H,10,11);1H2
InChIKeyMBXIWMCMUWZDMG-UHFFFAOYSA-N
MW210.02 g/mol
LogP1.26
Rot. Bonds1

About 3,4-dichloropyridine-2-carboxylic acid;hydrate

3,4-dichloropyridine-2-carboxylic acid;hydrate (PubChem CID 141213155) has the molecular formula C6H5Cl2NO3 and a molecular weight of 210.02 g/mol. Its IUPAC name is 3,4-dichloropyridine-2-carboxylic acid;hydrate.

Molecular Properties

Compound Name3,4-dichloropyridine-2-carboxylic acid;hydrate
PubChem CID141213155
Molecular FormulaC6H5Cl2NO3
Molecular Weight210.02 g/mol
Exact Mass208.96
IUPAC Name3,4-dichloropyridine-2-carboxylic acid;hydrate
SMILESO.O=C(O)c1nccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2NO2.H2O/c7-3-1-2-9-5(4(3)8)6(10)11;/h1-2H,(H,10,11);1H2
InChIKeyMBXIWMCMUWZDMG-UHFFFAOYSA-N
XLogP1.26
TPSA81.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloropyridine-2-carboxylic acid;O-ethylhydroxylamine
CID 175064916
4-chloropyridine-2,3-dicarboxylic acid;hydrate
CID 141172424
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
4-chloropyridine-2,3-dicarboxylic acid;zinc
CID 156700438
4-chloro-3-methylpyridine-2-carboxylic acid;ethane
CID 143215962
3-chloro-4-(chloromethyl)pyridine-2-carboxylic acid
CID 174890326
3,4-dichloro-N-ethylpyridine-2-carboxamide
CID 123182063
3,4-dichloro-2-prop-1-en-2-ylpyridine
CID 19901328
tetraazanium;3,4-dichloropyridine-2-carboxylate;tris(propan-2-olate)
CID 141226977
3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089873
3,4-dichloropyridine-2-carboxylate;triethylazanium
CID 141267432
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloropyridine-2-carboxylic acid;hydrate?
The IUPAC name of 3,4-dichloropyridine-2-carboxylic acid;hydrate (CID 141213155) is 3,4-dichloropyridine-2-carboxylic acid;hydrate.
What is the SMILES notation for 3,4-dichloropyridine-2-carboxylic acid;hydrate?
The canonical SMILES for 3,4-dichloropyridine-2-carboxylic acid;hydrate is O.O=C(O)c1nccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloropyridine-2-carboxylic acid;hydrate?
The InChIKey is MBXIWMCMUWZDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2.H2O/c7-3-1-2-9-5(4(3)8)6(10)11;/h1-2H,(H,10,11);1H2.
What are the key properties of 3,4-dichloropyridine-2-carboxylic acid;hydrate?
3,4-dichloropyridine-2-carboxylic acid;hydrate has a molecular weight of 210.02 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloropyridine-2-carboxylic acid;hydrate is sourced from PubChem (CID 141213155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).