aniline;niobium

C6H7NNb — CID 161015220

IUPACaniline;niobium
SMILESNc1ccccc1.[Nb]
InChIInChI=1S/C6H7N.Nb/c7-6-4-2-1-3-5-6;/h1-5H,7H2;
InChIKeyTXQBSXYXIFKCGA-UHFFFAOYSA-N
MW186.04 g/mol
LogP1.27
Rot. Bonds

About aniline;niobium

aniline;niobium (PubChem CID 161015220) has the molecular formula C6H7NNb and a molecular weight of 186.04 g/mol. Its IUPAC name is aniline;niobium.

Molecular Properties

Compound Nameaniline;niobium
PubChem CID161015220
Molecular FormulaC6H7NNb
Molecular Weight186.04 g/mol
Exact Mass185.96
IUPAC Nameaniline;niobium
SMILESNc1ccccc1.[Nb]
InChIInChI=1S/C6H7N.Nb/c7-6-4-2-1-3-5-6;/h1-5H,7H2;
InChIKeyTXQBSXYXIFKCGA-UHFFFAOYSA-N
XLogP1.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.04
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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zinc;aniline;dichloride
CID 70636252
aniline;sulfane;hydrofluoride
CID 174744569
magnesium;aniline;carbanide
CID 87207909
CID 158400952
CID 158400952
aniline;methanol
CID 140536335
sodium;aniline;hydride;dihydrate
CID 173275717
aniline;cyclobutane
CID 174919664

Frequently Asked Questions

What is the IUPAC name of aniline;niobium?
The IUPAC name of aniline;niobium (CID 161015220) is aniline;niobium.
What is the SMILES notation for aniline;niobium?
The canonical SMILES for aniline;niobium is Nc1ccccc1.[Nb].
What is the InChIKey of aniline;niobium?
The InChIKey is TXQBSXYXIFKCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.Nb/c7-6-4-2-1-3-5-6;/h1-5H,7H2;.
What are the key properties of aniline;niobium?
aniline;niobium has a molecular weight of 186.04 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;niobium is sourced from PubChem (CID 161015220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).