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

C11H14ClNO4 — CID 63686910

IUPAC5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid
SMILESCCCOCCOc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C11H14ClNO4/c1-2-3-16-4-5-17-10-9(12)6-8(7-13-10)11(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyWKNAPQNXESCCKD-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.24
Rot. Bonds7

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

5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid (PubChem CID 63686910) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid
PubChem CID63686910
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid
SMILESCCCOCCOc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C11H14ClNO4/c1-2-3-16-4-5-17-10-9(12)6-8(7-13-10)11(14)15/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyWKNAPQNXESCCKD-UHFFFAOYSA-N
XLogP2.24
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6-propoxypyridine-3-carboxylic acid
CID 138702867
5-chloro-6-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxylic acid
CID 115505424
6-butan-2-yloxy-5-chloropyridine-3-carboxylic acid
CID 60903616
4-(2-propoxyethoxy)quinazoline-7-carboxylic acid
CID 63684344
5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid
CID 43127392
5-chloro-6-[4-[(5-chloro-6-ethoxy-3-pyridinyl)carbamoyloxy]-4-methylpentoxy]pyridine-3-carboxylic acid
CID 129099587
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-chloro-6-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664153
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine
CID 61267855
3-chloro-5-methyl-2-propoxypyridine
CID 58571259
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid (CID 63686910) is 5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid is CCCOCCOc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid?
The InChIKey is WKNAPQNXESCCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-2-3-16-4-5-17-10-9(12)6-8(7-13-10)11(14)15/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid?
5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid has a molecular weight of 259.69 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-propoxyethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63686910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).