4-(3,4-dichloroazet-2-yl)pyridine

C8H4Cl2N2 — CID 70362400

IUPAC4-(3,4-dichloroazet-2-yl)pyridine
SMILESClC1=NC(c2ccncc2)=C1Cl
InChIInChI=1S/C8H4Cl2N2/c9-6-7(12-8(6)10)5-1-3-11-4-2-5/h1-4H
InChIKeyLBTSXUZQNNPOHB-UHFFFAOYSA-N
MW199.04 g/mol
LogP2.64
Rot. Bonds1

About 4-(3,4-dichloroazet-2-yl)pyridine

4-(3,4-dichloroazet-2-yl)pyridine (PubChem CID 70362400) has the molecular formula C8H4Cl2N2 and a molecular weight of 199.04 g/mol. Its IUPAC name is 4-(3,4-dichloroazet-2-yl)pyridine.

Molecular Properties

Compound Name4-(3,4-dichloroazet-2-yl)pyridine
PubChem CID70362400
Molecular FormulaC8H4Cl2N2
Molecular Weight199.04 g/mol
Exact Mass197.98
IUPAC Name4-(3,4-dichloroazet-2-yl)pyridine
SMILESClC1=NC(c2ccncc2)=C1Cl
InChIInChI=1S/C8H4Cl2N2/c9-6-7(12-8(6)10)5-1-3-11-4-2-5/h1-4H
InChIKeyLBTSXUZQNNPOHB-UHFFFAOYSA-N
XLogP2.64
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichloroazet-2-yl)pyridine?
The IUPAC name of 4-(3,4-dichloroazet-2-yl)pyridine (CID 70362400) is 4-(3,4-dichloroazet-2-yl)pyridine.
What is the SMILES notation for 4-(3,4-dichloroazet-2-yl)pyridine?
The canonical SMILES for 4-(3,4-dichloroazet-2-yl)pyridine is ClC1=NC(c2ccncc2)=C1Cl.
What is the InChIKey of 4-(3,4-dichloroazet-2-yl)pyridine?
The InChIKey is LBTSXUZQNNPOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2/c9-6-7(12-8(6)10)5-1-3-11-4-2-5/h1-4H.
What are the key properties of 4-(3,4-dichloroazet-2-yl)pyridine?
4-(3,4-dichloroazet-2-yl)pyridine has a molecular weight of 199.04 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichloroazet-2-yl)pyridine is sourced from PubChem (CID 70362400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).