dichloronickel;formamide

CH3Cl2NNiO — CID 159701015

IUPACdichloronickel;formamide
SMILESCl[Ni]Cl.NC=O
InChIInChI=1S/CH3NO.2ClH.Ni/c2-1-3;;;/h1H,(H2,2,3);2*1H;/q;;;+2/p-2
InChIKeyMXPSSJHHLDCWDN-UHFFFAOYSA-L
MW174.64 g/mol
LogP0.48
Rot. Bonds

About dichloronickel;formamide

dichloronickel;formamide (PubChem CID 159701015) has the molecular formula CH3Cl2NNiO and a molecular weight of 174.64 g/mol. Its IUPAC name is dichloronickel;formamide.

Molecular Properties

Compound Namedichloronickel;formamide
PubChem CID159701015
Molecular FormulaCH3Cl2NNiO
Molecular Weight174.64 g/mol
Exact Mass172.89
IUPAC Namedichloronickel;formamide
SMILESCl[Ni]Cl.NC=O
InChIInChI=1S/CH3NO.2ClH.Ni/c2-1-3;;;/h1H,(H2,2,3);2*1H;/q;;;+2/p-2
InChIKeyMXPSSJHHLDCWDN-UHFFFAOYSA-L
XLogP0.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.64
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloronickel;formamide?
The IUPAC name of dichloronickel;formamide (CID 159701015) is dichloronickel;formamide.
What is the SMILES notation for dichloronickel;formamide?
The canonical SMILES for dichloronickel;formamide is Cl[Ni]Cl.NC=O.
What is the InChIKey of dichloronickel;formamide?
The InChIKey is MXPSSJHHLDCWDN-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3NO.2ClH.Ni/c2-1-3;;;/h1H,(H2,2,3);2*1H;/q;;;+2/p-2.
What are the key properties of dichloronickel;formamide?
dichloronickel;formamide has a molecular weight of 174.64 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;formamide is sourced from PubChem (CID 159701015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).