nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline

C16H17N3O3 — CID 162306648

IUPACnitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline
SMILESCc1nc2c(c(C)cc3cccnc32)c(C)c1C.O=[N+]([O-])O
InChIInChI=1S/C16H16N2.HNO3/c1-9-8-13-6-5-7-17-15(13)16-14(9)11(3)10(2)12(4)18-16;2-1(3)4/h5-8H,1-4H3;(H,2,3,4)
InChIKeyOPRJGSHYIKXXAK-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.67
Rot. Bonds

About nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline

nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline (PubChem CID 162306648) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline.

Molecular Properties

Compound Namenitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline
PubChem CID162306648
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Namenitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline
SMILESCc1nc2c(c(C)cc3cccnc32)c(C)c1C.O=[N+]([O-])O
InChIInChI=1S/C16H16N2.HNO3/c1-9-8-13-6-5-7-17-15(13)16-14(9)11(3)10(2)12(4)18-16;2-1(3)4/h5-8H,1-4H3;(H,2,3,4)
InChIKeyOPRJGSHYIKXXAK-UHFFFAOYSA-N
XLogP3.67
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-methyl-7-nitroquinolin-8-ol
CID 166150155
bis(2,3-dimethyl-1,10-phenanthroline);hydrate
CID 174743751
2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;tetrakis(2,3,4,5,6,7,8,9-octamethyl-1,10-phenanthroline);bis(ruthenium(2+))
CID 45256437
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
2-methylpyridine;nitric acid
CID 134537856
1-(2-methyl-1,10-phenanthrolin-3-yl)ethanone
CID 11593871
3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline
CID 157282596
6-fluoro-7-nitroquinolin-8-ol
CID 166150329
nitric acid;1,7-phenanthroline
CID 175111698
7-methyl-1,6-naphthyridin-8-ol
CID 58939944
1-(8-nitroquinolin-6-yl)ethanone
CID 166162234

Frequently Asked Questions

What is the IUPAC name of nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline?
The IUPAC name of nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline (CID 162306648) is nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline.
What is the SMILES notation for nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline?
The canonical SMILES for nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline is Cc1nc2c(c(C)cc3cccnc32)c(C)c1C.O=[N+]([O-])O.
What is the InChIKey of nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline?
The InChIKey is OPRJGSHYIKXXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.HNO3/c1-9-8-13-6-5-7-17-15(13)16-14(9)11(3)10(2)12(4)18-16;2-1(3)4/h5-8H,1-4H3;(H,2,3,4).
What are the key properties of nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline?
nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline has a molecular weight of 299.33 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;2,3,4,5-tetramethyl-1,10-phenanthroline is sourced from PubChem (CID 162306648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).