5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid

C11H9FN2O3 — CID 115298212

IUPAC5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid
SMILESCn1ccnc1Oc1ccc(F)cc1C(=O)O
InChIInChI=1S/C11H9FN2O3/c1-14-5-4-13-11(14)17-9-3-2-7(12)6-8(9)10(15)16/h2-6H,1H3,(H,15,16)
InChIKeyNVJRAOYDIDPNIP-UHFFFAOYSA-N
MW236.20 g/mol
LogP2.05
Rot. Bonds3

About 5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid

5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid (PubChem CID 115298212) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid
PubChem CID115298212
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid
SMILESCn1ccnc1Oc1ccc(F)cc1C(=O)O
InChIInChI=1S/C11H9FN2O3/c1-14-5-4-13-11(14)17-9-3-2-7(12)6-8(9)10(15)16/h2-6H,1H3,(H,15,16)
InChIKeyNVJRAOYDIDPNIP-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[(1-methylimidazol-2-yl)methoxy]benzoic acid
CID 71741821
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
5-chloro-2-(4-methyl-3-oxopyrazin-2-yl)oxybenzoic acid
CID 62940447
5-fluoro-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 113281443
5-fluoro-2-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoic acid
CID 63293008
2-(2-bromo-4-methylphenoxy)-1-methylimidazole
CID 62132553
2-(2,3-dimethyl-5-nitroimidazol-4-yl)oxy-5-fluorobenzoic acid
CID 103555167
5-fluoro-2-pyridazin-3-yloxybenzoic acid
CID 115298215
2-[(5-tert-butyl-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 107875372
5-fluoro-2-nonoxybenzoic acid
CID 115297915
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-fluorobenzoic acid
CID 113281400

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid?
The IUPAC name of 5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid (CID 115298212) is 5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid.
What is the SMILES notation for 5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid?
The canonical SMILES for 5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid is Cn1ccnc1Oc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid?
The InChIKey is NVJRAOYDIDPNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-14-5-4-13-11(14)17-9-3-2-7(12)6-8(9)10(15)16/h2-6H,1H3,(H,15,16).
What are the key properties of 5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid?
5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid has a molecular weight of 236.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methylimidazol-2-yl)oxybenzoic acid is sourced from PubChem (CID 115298212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).