2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid

C11H9BrN2O3 — CID 114888730

IUPAC2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
SMILESCn1cc(Oc2cccc(Br)c2C(=O)O)cn1
InChIInChI=1S/C11H9BrN2O3/c1-14-6-7(5-13-14)17-9-4-2-3-8(12)10(9)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyFCVXTJJWCHXETE-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.67
Rot. Bonds3

About 2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid

2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid (PubChem CID 114888730) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
PubChem CID114888730
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
SMILESCn1cc(Oc2cccc(Br)c2C(=O)O)cn1
InChIInChI=1S/C11H9BrN2O3/c1-14-6-7(5-13-14)17-9-4-2-3-8(12)10(9)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyFCVXTJJWCHXETE-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792581
5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793229
2-bromo-6-(3,5-difluorophenoxy)benzoic acid
CID 114888676
2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116792751
3-methyl-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792565
2-bromo-6-(3-chloro-4-fluorophenoxy)benzoic acid
CID 114888683
3-amino-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793241
2-bromo-6-[4-(2-methoxyethyl)phenoxy]benzoic acid
CID 114888627
4-(3-bromophenoxy)-1-methylpyrazole
CID 115047051
2-(1-methylpyrazol-4-yl)oxy-6-methylsulfanylbenzenecarboximidamide
CID 116792841
2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114883564

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid?
The IUPAC name of 2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid (CID 114888730) is 2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid.
What is the SMILES notation for 2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid?
The canonical SMILES for 2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid is Cn1cc(Oc2cccc(Br)c2C(=O)O)cn1.
What is the InChIKey of 2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid?
The InChIKey is FCVXTJJWCHXETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c1-14-6-7(5-13-14)17-9-4-2-3-8(12)10(9)11(15)16/h2-6H,1H3,(H,15,16).
What are the key properties of 2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid?
2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid has a molecular weight of 297.11 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid is sourced from PubChem (CID 114888730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).