6-chloro-2-phenoxypyridine-3-carboxylic acid

C12H8ClNO3 — CID 63376812

IUPAC6-chloro-2-phenoxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Oc1ccccc1
InChIInChI=1S/C12H8ClNO3/c13-10-7-6-9(12(15)16)11(14-10)17-8-4-2-1-3-5-8/h1-7H,(H,15,16)
InChIKeyRLIJBMKYCFBNFB-UHFFFAOYSA-N
MW249.65 g/mol
LogP3.23
Rot. Bonds3

About 6-chloro-2-phenoxypyridine-3-carboxylic acid

6-chloro-2-phenoxypyridine-3-carboxylic acid (PubChem CID 63376812) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 6-chloro-2-phenoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-phenoxypyridine-3-carboxylic acid
PubChem CID63376812
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name6-chloro-2-phenoxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Oc1ccccc1
InChIInChI=1S/C12H8ClNO3/c13-10-7-6-9(12(15)16)11(14-10)17-8-4-2-1-3-5-8/h1-7H,(H,15,16)
InChIKeyRLIJBMKYCFBNFB-UHFFFAOYSA-N
XLogP3.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
6-chloro-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118038351
6-chloro-2-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376747
6-chloro-2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 63376513
6-chloro-2-(3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376771
6-chloro-2-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63376748
6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
CID 55185255
6-chloro-2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 63376629
2-(2-bromophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376743
6-chloro-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 63376850
2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63377003
6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid
CID 63376427

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenoxypyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-phenoxypyridine-3-carboxylic acid (CID 63376812) is 6-chloro-2-phenoxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-phenoxypyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-phenoxypyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1Oc1ccccc1.
What is the InChIKey of 6-chloro-2-phenoxypyridine-3-carboxylic acid?
The InChIKey is RLIJBMKYCFBNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-10-7-6-9(12(15)16)11(14-10)17-8-4-2-1-3-5-8/h1-7H,(H,15,16).
What are the key properties of 6-chloro-2-phenoxypyridine-3-carboxylic acid?
6-chloro-2-phenoxypyridine-3-carboxylic acid has a molecular weight of 249.65 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenoxypyridine-3-carboxylic acid is sourced from PubChem (CID 63376812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).