2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium

C18H19N4O2Rh- — CID 58814027

IUPAC2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium
SMILESCC(C)(C)c1c[c-]n(-c2ccccn2)n1.O=C(O)c1ccccn1.[Rh]
InChIInChI=1S/C12H14N3.C6H5NO2.Rh/c1-12(2,3)10-7-9-15(14-10)11-6-4-5-8-13-11;8-6(9)5-3-1-2-4-7-5;/h4-8H,1-3H3;1-4H,(H,8,9);/q-1;;
InChIKeyUHGYURZZSIZUGJ-UHFFFAOYSA-N
MW426.28 g/mol
LogP3.14
Rot. Bonds2

About 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium

2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium (PubChem CID 58814027) has the molecular formula C18H19N4O2Rh- and a molecular weight of 426.28 g/mol. Its IUPAC name is 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium.

Molecular Properties

Compound Name2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium
PubChem CID58814027
Molecular FormulaC18H19N4O2Rh-
Molecular Weight426.28 g/mol
Exact Mass426.06
IUPAC Name2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium
SMILESCC(C)(C)c1c[c-]n(-c2ccccn2)n1.O=C(O)c1ccccn1.[Rh]
InChIInChI=1S/C12H14N3.C6H5NO2.Rh/c1-12(2,3)10-7-9-15(14-10)11-6-4-5-8-13-11;8-6(9)5-3-1-2-4-7-5;/h4-8H,1-3H3;1-4H,(H,8,9);/q-1;;
InChIKeyUHGYURZZSIZUGJ-UHFFFAOYSA-N
XLogP3.14
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium?
The IUPAC name of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium (CID 58814027) is 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium.
What is the SMILES notation for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium?
The canonical SMILES for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium is CC(C)(C)c1c[c-]n(-c2ccccn2)n1.O=C(O)c1ccccn1.[Rh].
What is the InChIKey of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium?
The InChIKey is UHGYURZZSIZUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N3.C6H5NO2.Rh/c1-12(2,3)10-7-9-15(14-10)11-6-4-5-8-13-11;8-6(9)5-3-1-2-4-7-5;/h4-8H,1-3H3;1-4H,(H,8,9);/q-1;;.
What are the key properties of 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium?
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium has a molecular weight of 426.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)pyridine;pyridine-2-carboxylic acid;rhodium is sourced from PubChem (CID 58814027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).