2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid

C13H10ClNO3 — CID 106502871

IUPAC2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid
SMILESCc1cnccc1Oc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C13H10ClNO3/c1-8-7-15-5-4-12(8)18-9-2-3-11(14)10(6-9)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyJVDYIOLBHCACSN-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.53
Rot. Bonds3

About 2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid

2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid (PubChem CID 106502871) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid
PubChem CID106502871
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid
SMILESCc1cnccc1Oc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C13H10ClNO3/c1-8-7-15-5-4-12(8)18-9-2-3-11(14)10(6-9)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyJVDYIOLBHCACSN-UHFFFAOYSA-N
XLogP3.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chloro-4-pyridinyl)oxy]-2-nitrobenzoic acid
CID 107077869
2-chloro-5-(2-methyl-4-nitrophenoxy)benzoic acid
CID 106502842
4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81225523
3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
CID 114288885
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
2-chloro-5-(5-chloropyrimidin-4-yl)oxybenzoic acid
CID 106502849
3-methyl-4-(4-propan-2-ylphenoxy)pyridine
CID 121004835
2-amino-5-(4-chloro-3-methylphenoxy)benzoic acid
CID 60986913
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920
5-amino-2-(4-chloro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114047540
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943
4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid?
The IUPAC name of 2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid (CID 106502871) is 2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid?
The canonical SMILES for 2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid is Cc1cnccc1Oc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid?
The InChIKey is JVDYIOLBHCACSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-8-7-15-5-4-12(8)18-9-2-3-11(14)10(6-9)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid?
2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid has a molecular weight of 263.68 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid is sourced from PubChem (CID 106502871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).