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

C15H14ClNO4 — CID 63376427

IUPAC6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid
SMILESCCCOc1ccccc1Oc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H14ClNO4/c1-2-9-20-11-5-3-4-6-12(11)21-14-10(15(18)19)7-8-13(16)17-14/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyUDHUCQHDYLICIW-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.01
Rot. Bonds6

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

6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid (PubChem CID 63376427) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid
PubChem CID63376427
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid
SMILESCCCOc1ccccc1Oc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H14ClNO4/c1-2-9-20-11-5-3-4-6-12(11)21-14-10(15(18)19)7-8-13(16)17-14/h3-8H,2,9H2,1H3,(H,18,19)
InChIKeyUDHUCQHDYLICIW-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

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
CID 55185255
2-(2-bromophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376743
6-chloro-2-hexoxypyridine-3-carboxylic acid
CID 63376967
4-chloro-2-(2-propoxyphenoxy)benzoic acid
CID 63082699
3-chloro-6-(2-propoxyphenoxy)pyridine-2-carboxylic acid
CID 29286211
6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812
2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63377003
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
6-chloro-2-[2-(2-methylpropoxy)ethoxy]pyridine-3-carboxylic acid
CID 106447112
6-chloro-2-(4-chloro-3-ethylphenoxy)pyridine-3-carboxylic acid
CID 63376630
6-methyl-2-propoxypyridine-3-carboxylic acid
CID 62702426

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid (CID 63376427) is 6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid is CCCOc1ccccc1Oc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid?
The InChIKey is UDHUCQHDYLICIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-2-9-20-11-5-3-4-6-12(11)21-14-10(15(18)19)7-8-13(16)17-14/h3-8H,2,9H2,1H3,(H,18,19).
What are the key properties of 6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid?
6-chloro-2-(2-propoxyphenoxy)pyridine-3-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 6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63376427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).