4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid

C9H7Cl2NO4 — CID 141464389

IUPAC4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1ncc(Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C9H7Cl2NO4/c1-2-16-9(15)7-5(8(13)14)6(11)4(10)3-12-7/h3H,2H2,1H3,(H,13,14)
InChIKeyJOIGTIDNYXIURA-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.26
Rot. Bonds3

About 4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid

4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid (PubChem CID 141464389) has the molecular formula C9H7Cl2NO4 and a molecular weight of 264.06 g/mol. Its IUPAC name is 4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid
PubChem CID141464389
Molecular FormulaC9H7Cl2NO4
Molecular Weight264.06 g/mol
Exact Mass262.98
IUPAC Name4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid
SMILESCCOC(=O)c1ncc(Cl)c(Cl)c1C(=O)O
InChIInChI=1S/C9H7Cl2NO4/c1-2-16-9(15)7-5(8(13)14)6(11)4(10)3-12-7/h3H,2H2,1H3,(H,13,14)
InChIKeyJOIGTIDNYXIURA-UHFFFAOYSA-N
XLogP2.26
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid?
The IUPAC name of 4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid (CID 141464389) is 4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid.
What is the SMILES notation for 4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid?
The canonical SMILES for 4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid is CCOC(=O)c1ncc(Cl)c(Cl)c1C(=O)O.
What is the InChIKey of 4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid?
The InChIKey is JOIGTIDNYXIURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO4/c1-2-16-9(15)7-5(8(13)14)6(11)4(10)3-12-7/h3H,2H2,1H3,(H,13,14).
What are the key properties of 4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid?
4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid has a molecular weight of 264.06 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid is sourced from PubChem (CID 141464389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).