2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid

C13H10BrNO3 — CID 61395820

IUPAC2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc(Br)cn2)c1
InChIInChI=1S/C13H10BrNO3/c1-8-2-4-10(13(16)17)11(6-8)18-12-5-3-9(14)7-15-12/h2-7H,1H3,(H,16,17)
InChIKeySIRUSXKKKCFVMB-UHFFFAOYSA-N
MW308.13 g/mol
LogP3.64
Rot. Bonds3

About 2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid

2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid (PubChem CID 61395820) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid
PubChem CID61395820
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2ccc(Br)cn2)c1
InChIInChI=1S/C13H10BrNO3/c1-8-2-4-10(13(16)17)11(6-8)18-12-5-3-9(14)7-15-12/h2-7H,1H3,(H,16,17)
InChIKeySIRUSXKKKCFVMB-UHFFFAOYSA-N
XLogP3.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986
2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol
CID 168963794
2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid
CID 107732384
2-(2-bromo-4-methylphenoxy)-4-methylbenzoic acid
CID 63513152
4-methyl-2-pyrimidin-2-yloxybenzoic acid
CID 61395843
5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine
CID 63463834
5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine
CID 61374554
2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395806
4-bromo-2-(2-cyano-5-methylphenoxy)benzoic acid
CID 62308543
methyl 2-[(5-bromo-2-pyridinyl)oxy]-4-ethoxybenzoate
CID 168964124
2-[(4-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395798
2-[(5-bromo-3-pyridinyl)methoxy]-4-methylbenzoic acid
CID 104795963

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid (CID 61395820) is 2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(Oc2ccc(Br)cn2)c1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid?
The InChIKey is SIRUSXKKKCFVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c1-8-2-4-10(13(16)17)11(6-8)18-12-5-3-9(14)7-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of 2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid?
2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid has a molecular weight of 308.13 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid is sourced from PubChem (CID 61395820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).