4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid

C8H8Cl2N2O3 — CID 58504035

IUPAC4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid
SMILESCCOc1nc(C(=O)O)c(Cl)c(N)c1Cl
InChIInChI=1S/C8H8Cl2N2O3/c1-2-15-7-4(10)5(11)3(9)6(12-7)8(13)14/h2H2,1H3,(H2,11,12)(H,13,14)
InChIKeyDXXWOZWKWIMBDQ-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.07
Rot. Bonds3

About 4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid

4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid (PubChem CID 58504035) has the molecular formula C8H8Cl2N2O3 and a molecular weight of 251.07 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid
PubChem CID58504035
Molecular FormulaC8H8Cl2N2O3
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid
SMILESCCOc1nc(C(=O)O)c(Cl)c(N)c1Cl
InChIInChI=1S/C8H8Cl2N2O3/c1-2-15-7-4(10)5(11)3(9)6(12-7)8(13)14/h2H2,1H3,(H2,11,12)(H,13,14)
InChIKeyDXXWOZWKWIMBDQ-UHFFFAOYSA-N
XLogP2.07
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid (CID 58504035) is 4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid is CCOc1nc(C(=O)O)c(Cl)c(N)c1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid?
The InChIKey is DXXWOZWKWIMBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O3/c1-2-15-7-4(10)5(11)3(9)6(12-7)8(13)14/h2H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of 4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid?
4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid has a molecular weight of 251.07 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-6-ethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 58504035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).