4-chloropyridazine-3-carbonitrile

C5H2ClN3 — CID 70426237

IUPAC4-chloropyridazine-3-carbonitrile
SMILESN#Cc1nnccc1Cl
InChIInChI=1S/C5H2ClN3/c6-4-1-2-8-9-5(4)3-7/h1-2H
InChIKeyQNHKTGMVFBPRHX-UHFFFAOYSA-N
MW139.54 g/mol
LogP1.00
Rot. Bonds

About 4-chloropyridazine-3-carbonitrile

4-chloropyridazine-3-carbonitrile (PubChem CID 70426237) has the molecular formula C5H2ClN3 and a molecular weight of 139.54 g/mol. Its IUPAC name is 4-chloropyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-chloropyridazine-3-carbonitrile
PubChem CID70426237
Molecular FormulaC5H2ClN3
Molecular Weight139.54 g/mol
Exact Mass138.99
IUPAC Name4-chloropyridazine-3-carbonitrile
SMILESN#Cc1nnccc1Cl
InChIInChI=1S/C5H2ClN3/c6-4-1-2-8-9-5(4)3-7/h1-2H
InChIKeyQNHKTGMVFBPRHX-UHFFFAOYSA-N
XLogP1.00
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.54
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyridazine-3-carbonitrile?
The IUPAC name of 4-chloropyridazine-3-carbonitrile (CID 70426237) is 4-chloropyridazine-3-carbonitrile.
What is the SMILES notation for 4-chloropyridazine-3-carbonitrile?
The canonical SMILES for 4-chloropyridazine-3-carbonitrile is N#Cc1nnccc1Cl.
What is the InChIKey of 4-chloropyridazine-3-carbonitrile?
The InChIKey is QNHKTGMVFBPRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN3/c6-4-1-2-8-9-5(4)3-7/h1-2H.
What are the key properties of 4-chloropyridazine-3-carbonitrile?
4-chloropyridazine-3-carbonitrile has a molecular weight of 139.54 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridazine-3-carbonitrile is sourced from PubChem (CID 70426237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).