2-chloroazete

C3H2ClN — CID 19049881

IUPAC2-chloroazete
SMILESClC1=NC=C1
InChIInChI=1S/C3H2ClN/c4-3-1-2-5-3/h1-2H
InChIKeyLKBFWKXOUVTIDF-UHFFFAOYSA-N
MW87.51 g/mol
LogP1.15
Rot. Bonds

About 2-chloroazete

2-chloroazete (PubChem CID 19049881) has the molecular formula C3H2ClN and a molecular weight of 87.51 g/mol. Its IUPAC name is 2-chloroazete.

Molecular Properties

Compound Name2-chloroazete
PubChem CID19049881
Molecular FormulaC3H2ClN
Molecular Weight87.51 g/mol
Exact Mass86.99
IUPAC Name2-chloroazete
SMILESClC1=NC=C1
InChIInChI=1S/C3H2ClN/c4-3-1-2-5-3/h1-2H
InChIKeyLKBFWKXOUVTIDF-UHFFFAOYSA-N
XLogP1.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.51
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloroazete?
The IUPAC name of 2-chloroazete (CID 19049881) is 2-chloroazete.
What is the SMILES notation for 2-chloroazete?
The canonical SMILES for 2-chloroazete is ClC1=NC=C1.
What is the InChIKey of 2-chloroazete?
The InChIKey is LKBFWKXOUVTIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClN/c4-3-1-2-5-3/h1-2H.
What are the key properties of 2-chloroazete?
2-chloroazete has a molecular weight of 87.51 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroazete is sourced from PubChem (CID 19049881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).