6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid

C9H10ClNO3 — CID 89421780

IUPAC6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(OC)nc1Cl
InChIInChI=1S/C9H10ClNO3/c1-3-5-4-6(9(12)13)8(14-2)11-7(5)10/h4H,3H2,1-2H3,(H,12,13)
InChIKeyFCOVETUMFYMUDU-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.00
Rot. Bonds3

About 6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid

6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid (PubChem CID 89421780) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid
PubChem CID89421780
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(OC)nc1Cl
InChIInChI=1S/C9H10ClNO3/c1-3-5-4-6(9(12)13)8(14-2)11-7(5)10/h4H,3H2,1-2H3,(H,12,13)
InChIKeyFCOVETUMFYMUDU-UHFFFAOYSA-N
XLogP2.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid (CID 89421780) is 6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(OC)nc1Cl.
What is the InChIKey of 6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid?
The InChIKey is FCOVETUMFYMUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-3-5-4-6(9(12)13)8(14-2)11-7(5)10/h4H,3H2,1-2H3,(H,12,13).
What are the key properties of 6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid?
6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid has a molecular weight of 215.64 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 89421780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).