CID 173301434

H7ClK2N2O7 — CID 173301434

IUPAC—
SMILESN.O=[N+]([O-])O.[H-].[H-].[K+].[K+].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/ClHO4.2K.HNO3.H3N.2H/c2-1(3,4)5;;;2-1(3)4;;;/h(H,2,3,4,5);;;(H,2,3,4);1H3;;/q;2*+1;;;2*-1
InChIKeyJAZOVMGUUNHHCY-UHFFFAOYSA-N
MW260.71 g/mol
LogP-10.08
Rot. Bonds

About CID 173301434

CID 173301434 (PubChem CID 173301434) has the molecular formula H7ClK2N2O7 and a molecular weight of 260.71 g/mol.

Molecular Properties

Compound NameCID 173301434
PubChem CID173301434
Molecular FormulaH7ClK2N2O7
Molecular Weight260.71 g/mol
Exact Mass259.92
IUPAC Name—
SMILESN.O=[N+]([O-])O.[H-].[H-].[K+].[K+].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/ClHO4.2K.HNO3.H3N.2H/c2-1(3,4)5;;;2-1(3)4;;;/h(H,2,3,4,5);;;(H,2,3,4);1H3;;/q;2*+1;;;2*-1
InChIKeyJAZOVMGUUNHHCY-UHFFFAOYSA-N
XLogP-10.08
TPSA187.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 5-10.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Related Compounds

dipotassium;hydride;nitric acid
CID 173026465
pentapotassium;hydride;pentadecakis(nitric acid)
CID 173454333
potassium;hydride;tetrakis(nitric acid)
CID 173316593
CID 173301783
CID 173301783
potassium;hydride;nitric acid;silver
CID 173442330
azane;(nitric acid)
CID 173431766
azane;tetrakis(nitric acid)
CID 173388272
tripentacontapotassium;pentakis(nitric acid)
CID 173441316
azane;decakis(nitric acid)
CID 173055393
tricalcium;hydride;nitric acid
CID 173351072
magnesium;hydride;tris(nitric acid)
CID 173386256
azane;bis(nitric acid);palladium
CID 6368740

Frequently Asked Questions

What is the IUPAC name of CID 173301434?
The IUPAC name of CID 173301434 (CID 173301434) is not available.
What is the SMILES notation for CID 173301434?
The canonical SMILES for CID 173301434 is N.O=[N+]([O-])O.[H-].[H-].[K+].[K+].[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of CID 173301434?
The InChIKey is JAZOVMGUUNHHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/ClHO4.2K.HNO3.H3N.2H/c2-1(3,4)5;;;2-1(3)4;;;/h(H,2,3,4,5);;;(H,2,3,4);1H3;;/q;2*+1;;;2*-1.
What are the key properties of CID 173301434?
CID 173301434 has a molecular weight of 260.71 g/mol, XLogP of -10.08, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173301434 is sourced from PubChem (CID 173301434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).