3-chloropyridine-2,4-dicarboxylic acid

C7H4ClNO4 — CID 134247663

IUPAC3-chloropyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1ccnc(C(=O)O)c1Cl
InChIInChI=1S/C7H4ClNO4/c8-4-3(6(10)11)1-2-9-5(4)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChIKeyJCNSAQTUIGBLPY-UHFFFAOYSA-N
MW201.56 g/mol
LogP1.13
Rot. Bonds2

About 3-chloropyridine-2,4-dicarboxylic acid

3-chloropyridine-2,4-dicarboxylic acid (PubChem CID 134247663) has the molecular formula C7H4ClNO4 and a molecular weight of 201.56 g/mol. Its IUPAC name is 3-chloropyridine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name3-chloropyridine-2,4-dicarboxylic acid
PubChem CID134247663
Molecular FormulaC7H4ClNO4
Molecular Weight201.56 g/mol
Exact Mass200.98
IUPAC Name3-chloropyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1ccnc(C(=O)O)c1Cl
InChIInChI=1S/C7H4ClNO4/c8-4-3(6(10)11)1-2-9-5(4)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChIKeyJCNSAQTUIGBLPY-UHFFFAOYSA-N
XLogP1.13
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.56
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloropyridine-2-carboxylic acid;hydrate
CID 141213155
lithium;2,3-dichloropyridine-4-carboxylic acid;hydride
CID 174387872
3-chloro-4-(chloromethyl)pyridine-2-carboxylic acid
CID 174890326
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
3-chloro-2-(2,6-dichlorophenyl)pyridine-4-carboxylic acid
CID 133087953
3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 134637312
3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid
CID 107063696
3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089873
3-chloro-2-(2-hydroxyethoxy)pyridine-4-carboxylic acid
CID 107063382
2-(azepan-1-yl)-3-chloropyridine-4-carboxylic acid
CID 107062188
2-tert-butylsulfanyl-3-chloropyridine-4-carboxylic acid
CID 107063650
pyridine-2,3-dicarboxylic acid
CID 1066

Frequently Asked Questions

What is the IUPAC name of 3-chloropyridine-2,4-dicarboxylic acid?
The IUPAC name of 3-chloropyridine-2,4-dicarboxylic acid (CID 134247663) is 3-chloropyridine-2,4-dicarboxylic acid.
What is the SMILES notation for 3-chloropyridine-2,4-dicarboxylic acid?
The canonical SMILES for 3-chloropyridine-2,4-dicarboxylic acid is O=C(O)c1ccnc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloropyridine-2,4-dicarboxylic acid?
The InChIKey is JCNSAQTUIGBLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO4/c8-4-3(6(10)11)1-2-9-5(4)7(12)13/h1-2H,(H,10,11)(H,12,13).
What are the key properties of 3-chloropyridine-2,4-dicarboxylic acid?
3-chloropyridine-2,4-dicarboxylic acid has a molecular weight of 201.56 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropyridine-2,4-dicarboxylic acid is sourced from PubChem (CID 134247663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).