5-(3-chlorophenoxy)pyridine-2-carboxylic acid

C12H8ClNO3 — CID 3055226

IUPAC5-(3-chlorophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H8ClNO3/c13-8-2-1-3-9(6-8)17-10-4-5-11(12(15)16)14-7-10/h1-7H,(H,15,16)
InChIKeyRBYCZLPCBDKRPG-UHFFFAOYSA-N
MW249.65 g/mol
LogP3.23
Rot. Bonds3

About 5-(3-chlorophenoxy)pyridine-2-carboxylic acid

5-(3-chlorophenoxy)pyridine-2-carboxylic acid (PubChem CID 3055226) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenoxy)pyridine-2-carboxylic acid
PubChem CID3055226
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name5-(3-chlorophenoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2cccc(Cl)c2)cn1
InChIInChI=1S/C12H8ClNO3/c13-8-2-1-3-9(6-8)17-10-4-5-11(12(15)16)14-7-10/h1-7H,(H,15,16)
InChIKeyRBYCZLPCBDKRPG-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

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Related Compounds

5-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475854
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
(5-(3-Chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 24770906
Picolinic acid, 5-(p-tolyloxy)-
CID 3055222
5-Butoxypicolinic acid
CID 173872
5-Propoxypyridine-2-carboxylic acid
CID 12919808
5-(Cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 66691895
6-((4-Chlorophenoxy)methyl)picolinic acid
CID 106903207
4-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 155153995
Picolinic acid, 5-(p-chlorophenoxy)-
CID 55998
5-Trifluoropentoxypicolinic acid
CID 156082
Picolinic acid, 5-(p-nitrophenoxy)-
CID 3048868

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-chlorophenoxy)pyridine-2-carboxylic acid (CID 3055226) is 5-(3-chlorophenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(Oc2cccc(Cl)c2)cn1.
What is the InChIKey of 5-(3-chlorophenoxy)pyridine-2-carboxylic acid?
The InChIKey is RBYCZLPCBDKRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-8-2-1-3-9(6-8)17-10-4-5-11(12(15)16)14-7-10/h1-7H,(H,15,16).
What are the key properties of 5-(3-chlorophenoxy)pyridine-2-carboxylic acid?
5-(3-chlorophenoxy)pyridine-2-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 5-(3-chlorophenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 3055226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).