3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid

C15H14ClNO4 — CID 29286211

IUPAC3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid
SMILESCCCOc1ccccc1Oc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C15H14ClNO4/c1-2-9-20-11-5-3-4-6-12(11)21-13-8-7-10(16)14(17-13)15(18)19/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyAKGBRHFPPUNQDG-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.01
Rot. Bonds6

About 3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid

3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid (PubChem CID 29286211) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid
PubChem CID29286211
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid
SMILESCCCOc1ccccc1Oc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C15H14ClNO4/c1-2-9-20-11-5-3-4-6-12(11)21-13-8-7-10(16)14(17-13)15(18)19/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyAKGBRHFPPUNQDG-UHFFFAOYSA-N
XLogP4.01
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 61268786
6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid
CID 63376427
3-chloro-6-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 61030638
2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879
4-chloro-2-(2-propoxyphenoxy)benzoic acid
CID 63082699
3-chloro-6-(2-methylbutan-2-yloxy)pyridine-2-carboxylic acid
CID 28996663
[6-(2-propoxyphenoxy)pyrazin-2-yl]methanol
CID 66467765
6-butoxy-3-hydroxypyridine-2-carboxylic acid
CID 19960286
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
6-(5-bromo-2,3-difluorophenoxy)-3-chloropyridine-2-carboxylic acid
CID 107097920
6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903239
2-butoxybenzoic acid;carbonic acid
CID 137455653

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid (CID 29286211) is 3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid is CCCOc1ccccc1Oc1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid?
The InChIKey is AKGBRHFPPUNQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-2-9-20-11-5-3-4-6-12(11)21-13-8-7-10(16)14(17-13)15(18)19/h3-8H,2,9H2,1H3,(H,18,19).
What are the key properties of 3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid?
3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid has a molecular weight of 307.73 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 29286211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).