hafnium;pyridin-1-ium-1-amine

C5H7HfN2+ — CID 175416346

IUPAChafnium;pyridin-1-ium-1-amine
SMILESN[n+]1ccccc1.[Hf]
InChIInChI=1S/C5H7N2.Hf/c6-7-4-2-1-3-5-7;/h1-5H,6H2;/q+1;
InChIKeyCZDMQZZYFMVATG-UHFFFAOYSA-N
MW273.62 g/mol
LogP-0.31
Rot. Bonds

About hafnium;pyridin-1-ium-1-amine

hafnium;pyridin-1-ium-1-amine (PubChem CID 175416346) has the molecular formula C5H7HfN2+ and a molecular weight of 273.62 g/mol. Its IUPAC name is hafnium;pyridin-1-ium-1-amine.

Molecular Properties

Compound Namehafnium;pyridin-1-ium-1-amine
PubChem CID175416346
Molecular FormulaC5H7HfN2+
Molecular Weight273.62 g/mol
Exact Mass275.01
IUPAC Namehafnium;pyridin-1-ium-1-amine
SMILESN[n+]1ccccc1.[Hf]
InChIInChI=1S/C5H7N2.Hf/c6-7-4-2-1-3-5-7;/h1-5H,6H2;/q+1;
InChIKeyCZDMQZZYFMVATG-UHFFFAOYSA-N
XLogP-0.31
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.62
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hafnium;pyridin-1-ium-1-amine?
The IUPAC name of hafnium;pyridin-1-ium-1-amine (CID 175416346) is hafnium;pyridin-1-ium-1-amine.
What is the SMILES notation for hafnium;pyridin-1-ium-1-amine?
The canonical SMILES for hafnium;pyridin-1-ium-1-amine is N[n+]1ccccc1.[Hf].
What is the InChIKey of hafnium;pyridin-1-ium-1-amine?
The InChIKey is CZDMQZZYFMVATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2.Hf/c6-7-4-2-1-3-5-7;/h1-5H,6H2;/q+1;.
What are the key properties of hafnium;pyridin-1-ium-1-amine?
hafnium;pyridin-1-ium-1-amine has a molecular weight of 273.62 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;pyridin-1-ium-1-amine is sourced from PubChem (CID 175416346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).