nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine

C11H16N4O3 — CID 13414469

IUPACnitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine
SMILESCN1C(c2cccnc2)=NCC1(C)C.O=[N+]([O-])O
InChIInChI=1S/C11H15N3.HNO3/c1-11(2)8-13-10(14(11)3)9-5-4-6-12-7-9;2-1(3)4/h4-7H,8H2,1-3H3;(H,2,3,4)
InChIKeyYGBGWCVYOXOUBO-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.20
Rot. Bonds1

About nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine

nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine (PubChem CID 13414469) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine.

Molecular Properties

Compound Namenitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine
PubChem CID13414469
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namenitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine
SMILESCN1C(c2cccnc2)=NCC1(C)C.O=[N+]([O-])O
InChIInChI=1S/C11H15N3.HNO3/c1-11(2)8-13-10(14(11)3)9-5-4-6-12-7-9;2-1(3)4/h4-7H,8H2,1-3H3;(H,2,3,4)
InChIKeyYGBGWCVYOXOUBO-UHFFFAOYSA-N
XLogP1.20
TPSA91.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine?
The IUPAC name of nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine (CID 13414469) is nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine.
What is the SMILES notation for nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine?
The canonical SMILES for nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine is CN1C(c2cccnc2)=NCC1(C)C.O=[N+]([O-])O.
What is the InChIKey of nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine?
The InChIKey is YGBGWCVYOXOUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.HNO3/c1-11(2)8-13-10(14(11)3)9-5-4-6-12-7-9;2-1(3)4/h4-7H,8H2,1-3H3;(H,2,3,4).
What are the key properties of nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine?
nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine has a molecular weight of 252.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;3-(1,5,5-trimethyl-4H-imidazol-2-yl)pyridine is sourced from PubChem (CID 13414469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).