nitric acid;1,7-phenanthroline

C12H9N3O3 — CID 175111698

IUPACnitric acid;1,7-phenanthroline
SMILESO=[N+]([O-])O.c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.HNO3/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;2-1(3)4/h1-8H;(H,2,3,4)
InChIKeyRDMXBOPRMDKZSM-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.44
Rot. Bonds

About nitric acid;1,7-phenanthroline

nitric acid;1,7-phenanthroline (PubChem CID 175111698) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is nitric acid;1,7-phenanthroline.

Molecular Properties

Compound Namenitric acid;1,7-phenanthroline
PubChem CID175111698
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Namenitric acid;1,7-phenanthroline
SMILESO=[N+]([O-])O.c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.HNO3/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;2-1(3)4/h1-8H;(H,2,3,4)
InChIKeyRDMXBOPRMDKZSM-UHFFFAOYSA-N
XLogP2.44
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.44
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

europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
methanol;1,7-phenanthroline
CID 174496893
1,7-phenanthroline;dihydrochloride
CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline
CID 173066827
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
5-nitroquinolin-6-ol
CID 3997706
1,7-phenanthrolin-8-amine;2,4,6-trinitrophenol
CID 23723893
1-(1H-imidazol-2-yl)ethanone;1,7-phenanthroline;ruthenium
CID 175349925
pyrido[2,3-i][1,2]benzodiazepin-3-one
CID 67724117
tetrakis(N,N-diethylcarbamodithioate);1,7-phenanthroline;tin(4+)
CID 174667242

Frequently Asked Questions

What is the IUPAC name of nitric acid;1,7-phenanthroline?
The IUPAC name of nitric acid;1,7-phenanthroline (CID 175111698) is nitric acid;1,7-phenanthroline.
What is the SMILES notation for nitric acid;1,7-phenanthroline?
The canonical SMILES for nitric acid;1,7-phenanthroline is O=[N+]([O-])O.c1cnc2c(c1)ccc1ncccc12.
What is the InChIKey of nitric acid;1,7-phenanthroline?
The InChIKey is RDMXBOPRMDKZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.HNO3/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;2-1(3)4/h1-8H;(H,2,3,4).
What are the key properties of nitric acid;1,7-phenanthroline?
nitric acid;1,7-phenanthroline has a molecular weight of 243.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;1,7-phenanthroline is sourced from PubChem (CID 175111698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).