4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol

C9H6ClFN2O — CID 58294117

IUPAC4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol
SMILESOc1c(F)cc(Cl)cc1-c1cnc[nH]1
InChIInChI=1S/C9H6ClFN2O/c10-5-1-6(8-3-12-4-13-8)9(14)7(11)2-5/h1-4,14H,(H,12,13)
InChIKeyCNFZNASVMHOPFL-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.57
Rot. Bonds1

About 4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol

4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol (PubChem CID 58294117) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol
PubChem CID58294117
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol
SMILESOc1c(F)cc(Cl)cc1-c1cnc[nH]1
InChIInChI=1S/C9H6ClFN2O/c10-5-1-6(8-3-12-4-13-8)9(14)7(11)2-5/h1-4,14H,(H,12,13)
InChIKeyCNFZNASVMHOPFL-UHFFFAOYSA-N
XLogP2.57
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol?
The IUPAC name of 4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol (CID 58294117) is 4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol.
What is the SMILES notation for 4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol?
The canonical SMILES for 4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol is Oc1c(F)cc(Cl)cc1-c1cnc[nH]1.
What is the InChIKey of 4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol?
The InChIKey is CNFZNASVMHOPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-5-1-6(8-3-12-4-13-8)9(14)7(11)2-5/h1-4,14H,(H,12,13).
What are the key properties of 4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol?
4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol has a molecular weight of 212.61 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-6-(1H-imidazol-5-yl)phenol is sourced from PubChem (CID 58294117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).