5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid

C8H9ClN2O3 — CID 58503948

IUPAC5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid
SMILESCCOc1nc(Cl)c(N)cc1C(=O)O
InChIInChI=1S/C8H9ClN2O3/c1-2-14-7-4(8(12)13)3-5(10)6(9)11-7/h3H,2,10H2,1H3,(H,12,13)
InChIKeyYOGAYVRIPBIXNI-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.41
Rot. Bonds3

About 5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid

5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid (PubChem CID 58503948) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid
PubChem CID58503948
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid
SMILESCCOc1nc(Cl)c(N)cc1C(=O)O
InChIInChI=1S/C8H9ClN2O3/c1-2-14-7-4(8(12)13)3-5(10)6(9)11-7/h3H,2,10H2,1H3,(H,12,13)
InChIKeyYOGAYVRIPBIXNI-UHFFFAOYSA-N
XLogP1.41
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid (CID 58503948) is 5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid is CCOc1nc(Cl)c(N)cc1C(=O)O.
What is the InChIKey of 5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid?
The InChIKey is YOGAYVRIPBIXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-2-14-7-4(8(12)13)3-5(10)6(9)11-7/h3H,2,10H2,1H3,(H,12,13).
What are the key properties of 5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid?
5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid has a molecular weight of 216.62 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid is sourced from PubChem (CID 58503948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).