2-(4,6-dichloropyridazin-3-yl)acetonitrile

C6H3Cl2N3 — CID 59851337

IUPAC2-(4,6-dichloropyridazin-3-yl)acetonitrile
SMILESN#CCc1nnc(Cl)cc1Cl
InChIInChI=1S/C6H3Cl2N3/c7-4-3-6(8)11-10-5(4)1-2-9/h3H,1H2
InChIKeyMGPALOGTKQKDNU-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.85
Rot. Bonds1

About 2-(4,6-dichloropyridazin-3-yl)acetonitrile

2-(4,6-dichloropyridazin-3-yl)acetonitrile (PubChem CID 59851337) has the molecular formula C6H3Cl2N3 and a molecular weight of 188.02 g/mol. Its IUPAC name is 2-(4,6-dichloropyridazin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,6-dichloropyridazin-3-yl)acetonitrile
PubChem CID59851337
Molecular FormulaC6H3Cl2N3
Molecular Weight188.02 g/mol
Exact Mass186.97
IUPAC Name2-(4,6-dichloropyridazin-3-yl)acetonitrile
SMILESN#CCc1nnc(Cl)cc1Cl
InChIInChI=1S/C6H3Cl2N3/c7-4-3-6(8)11-10-5(4)1-2-9/h3H,1H2
InChIKeyMGPALOGTKQKDNU-UHFFFAOYSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-3-ethylpyridazine
CID 174924583
2-(4-chloropyridazin-3-yl)acetonitrile
CID 54339606
2-(3-amino-4-chloro-2-pyridinyl)acetonitrile
CID 131050925
2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133093909
4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130071242
6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130071234
2-(2,5-dichloro-4-pyridinyl)acetonitrile
CID 84770229
2-(4,6-dichloropyridazin-3-yl)ethyl formate
CID 174740632
2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile
CID 15925928
2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile
CID 55266700
2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134684089
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloropyridazin-3-yl)acetonitrile?
The IUPAC name of 2-(4,6-dichloropyridazin-3-yl)acetonitrile (CID 59851337) is 2-(4,6-dichloropyridazin-3-yl)acetonitrile.
What is the SMILES notation for 2-(4,6-dichloropyridazin-3-yl)acetonitrile?
The canonical SMILES for 2-(4,6-dichloropyridazin-3-yl)acetonitrile is N#CCc1nnc(Cl)cc1Cl.
What is the InChIKey of 2-(4,6-dichloropyridazin-3-yl)acetonitrile?
The InChIKey is MGPALOGTKQKDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3/c7-4-3-6(8)11-10-5(4)1-2-9/h3H,1H2.
What are the key properties of 2-(4,6-dichloropyridazin-3-yl)acetonitrile?
2-(4,6-dichloropyridazin-3-yl)acetonitrile has a molecular weight of 188.02 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloropyridazin-3-yl)acetonitrile is sourced from PubChem (CID 59851337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).