2-(4-chlorophenoxy)pyridine-3-carboxylic acid

C12H8ClNO3 — CID 609454

IUPAC2-(4-chlorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8ClNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
InChIKeyFVAZJGJEENAKRJ-UHFFFAOYSA-N
MW249.65 g/mol
LogP3.23
Rot. Bonds3

About 2-(4-chlorophenoxy)pyridine-3-carboxylic acid

2-(4-chlorophenoxy)pyridine-3-carboxylic acid (PubChem CID 609454) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)pyridine-3-carboxylic acid
PubChem CID609454
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name2-(4-chlorophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8ClNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
InChIKeyFVAZJGJEENAKRJ-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

2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
S-(4-chlorophenyl) 2-phenoxypyridine-3-carbothioate
CID 2797684
2-naphthalen-2-yloxypyridine-3-carboxylic acid
CID 16784651
2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
CID 45422631
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 65203992
2-(4-butanoylphenoxy)pyridine-3-carboxylic acid
CID 166523916
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 44756891
2-(4-methylphenoxy)pyridine-3-carbonyl chloride
CID 2774899
2-[4-(3-acetylphenyl)phenoxy]pyridine-3-carboxylic acid
CID 11681522

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-chlorophenoxy)pyridine-3-carboxylic acid (CID 609454) is 2-(4-chlorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenoxy)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is FVAZJGJEENAKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16).
What are the key properties of 2-(4-chlorophenoxy)pyridine-3-carboxylic acid?
2-(4-chlorophenoxy)pyridine-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 2-(4-chlorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 609454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).