4-(2H-azirin-3-yl)-3-chlorophenol

C8H6ClNO — CID 163568655

IUPAC4-(2H-azirin-3-yl)-3-chlorophenol
SMILESOc1ccc(C2=NC2)c(Cl)c1
InChIInChI=1S/C8H6ClNO/c9-7-3-5(11)1-2-6(7)8-4-10-8/h1-3,11H,4H2
InChIKeyFXISSKCLAJLKDL-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.85
Rot. Bonds1

About 4-(2H-azirin-3-yl)-3-chlorophenol

4-(2H-azirin-3-yl)-3-chlorophenol (PubChem CID 163568655) has the molecular formula C8H6ClNO and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-(2H-azirin-3-yl)-3-chlorophenol.

Molecular Properties

Compound Name4-(2H-azirin-3-yl)-3-chlorophenol
PubChem CID163568655
Molecular FormulaC8H6ClNO
Molecular Weight167.60 g/mol
Exact Mass167.01
IUPAC Name4-(2H-azirin-3-yl)-3-chlorophenol
SMILESOc1ccc(C2=NC2)c(Cl)c1
InChIInChI=1S/C8H6ClNO/c9-7-3-5(11)1-2-6(7)8-4-10-8/h1-3,11H,4H2
InChIKeyFXISSKCLAJLKDL-UHFFFAOYSA-N
XLogP1.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-azirin-3-yl)-3-chlorophenol?
The IUPAC name of 4-(2H-azirin-3-yl)-3-chlorophenol (CID 163568655) is 4-(2H-azirin-3-yl)-3-chlorophenol.
What is the SMILES notation for 4-(2H-azirin-3-yl)-3-chlorophenol?
The canonical SMILES for 4-(2H-azirin-3-yl)-3-chlorophenol is Oc1ccc(C2=NC2)c(Cl)c1.
What is the InChIKey of 4-(2H-azirin-3-yl)-3-chlorophenol?
The InChIKey is FXISSKCLAJLKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c9-7-3-5(11)1-2-6(7)8-4-10-8/h1-3,11H,4H2.
What are the key properties of 4-(2H-azirin-3-yl)-3-chlorophenol?
4-(2H-azirin-3-yl)-3-chlorophenol has a molecular weight of 167.60 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-azirin-3-yl)-3-chlorophenol is sourced from PubChem (CID 163568655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).