5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid

C13H9Cl2NO3 — CID 79793988

IUPAC5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C13H9Cl2NO3/c14-10-2-1-3-11(15)9(10)7-19-8-4-5-12(13(17)18)16-6-8/h1-6H,7H2,(H,17,18)
InChIKeyCIRFVTGFUWOMFN-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.67
Rot. Bonds4

About 5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid

5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 79793988) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID79793988
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C13H9Cl2NO3/c14-10-2-1-3-11(15)9(10)7-19-8-4-5-12(13(17)18)16-6-8/h1-6H,7H2,(H,17,18)
InChIKeyCIRFVTGFUWOMFN-UHFFFAOYSA-N
XLogP3.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992347
5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 79794515
2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201
5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 107881627
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride
CID 141018466
(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 56777094
hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride
CID 173217229
3-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 115955910
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid (CID 79793988) is 5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid is O=C(O)c1ccc(OCc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is CIRFVTGFUWOMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-10-2-1-3-11(15)9(10)7-19-8-4-5-12(13(17)18)16-6-8/h1-6H,7H2,(H,17,18).
What are the key properties of 5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid?
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 298.12 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79793988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).