2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid

C15H14ClNO4 — CID 43352053

IUPAC2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
SMILESCOCCc1ccc(Oc2cc(C(=O)O)cc(Cl)n2)cc1
InChIInChI=1S/C15H14ClNO4/c1-20-7-6-10-2-4-12(5-3-10)21-14-9-11(15(18)19)8-13(16)17-14/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyHQFNBENQPJMRME-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.41
Rot. Bonds6

About 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid

2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid (PubChem CID 43352053) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
PubChem CID43352053
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
SMILESCOCCc1ccc(Oc2cc(C(=O)O)cc(Cl)n2)cc1
InChIInChI=1S/C15H14ClNO4/c1-20-7-6-10-2-4-12(5-3-10)21-14-9-11(15(18)19)8-13(16)17-14/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyHQFNBENQPJMRME-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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

2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile
CID 83074306
2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
CID 43166912
2-chloro-6-(4-chloro-3,5-dimethylphenoxy)pyridine-4-carboxylic acid
CID 43369927
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
4-chloro-2-[4-(2-methoxyethyl)phenoxy]-1,3-thiazole-5-carboxylic acid
CID 80693618
2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343550
5-amino-6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboxylic acid
CID 81447219
2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid
CID 113379603
2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
tert-butyl 2-chloro-6-[4-(trifluoromethoxy)phenoxy]pyridine-4-carboxylate
CID 170948803
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid
CID 113404027

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid (CID 43352053) is 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid is COCCc1ccc(Oc2cc(C(=O)O)cc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid?
The InChIKey is HQFNBENQPJMRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-20-7-6-10-2-4-12(5-3-10)21-14-9-11(15(18)19)8-13(16)17-14/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid?
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid has a molecular weight of 307.73 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 43352053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).