5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid

C10H12ClNO3 — CID 18071266

IUPAC5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid
SMILESCC(C)COc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-6(2)5-15-9-8(11)3-7(4-12-9)10(13)14/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyFBOXLYUMUCAYRF-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.47
Rot. Bonds4

About 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid

5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid (PubChem CID 18071266) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid
PubChem CID18071266
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid
SMILESCC(C)COc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-6(2)5-15-9-8(11)3-7(4-12-9)10(13)14/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyFBOXLYUMUCAYRF-UHFFFAOYSA-N
XLogP2.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid (CID 18071266) is 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid is CC(C)COc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid?
The InChIKey is FBOXLYUMUCAYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-6(2)5-15-9-8(11)3-7(4-12-9)10(13)14/h3-4,6H,5H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid?
5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid has a molecular weight of 229.66 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 18071266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).