bis(1H-indazol-2-ium) dichloride

C14H14Cl2N4 — CID 157402458

IUPACbis(1H-indazol-2-ium) dichloride
SMILES[Cl-].[Cl-].c1ccc2[nH][nH+]cc2c1.c1ccc2[nH][nH+]cc2c1
InChIInChI=1S/2C7H6N2.2ClH/c2*1-2-4-7-6(3-1)5-8-9-7;;/h2*1-5H,(H,8,9);2*1H
InChIKeyLNLYOZUBJUJVQF-UHFFFAOYSA-N
MW309.20 g/mol
LogP-4.03
Rot. Bonds

About bis(1H-indazol-2-ium) dichloride

bis(1H-indazol-2-ium) dichloride (PubChem CID 157402458) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is bis(1H-indazol-2-ium) dichloride.

Molecular Properties

Compound Namebis(1H-indazol-2-ium) dichloride
PubChem CID157402458
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Namebis(1H-indazol-2-ium) dichloride
SMILES[Cl-].[Cl-].c1ccc2[nH][nH+]cc2c1.c1ccc2[nH][nH+]cc2c1
InChIInChI=1S/2C7H6N2.2ClH/c2*1-2-4-7-6(3-1)5-8-9-7;;/h2*1-5H,(H,8,9);2*1H
InChIKeyLNLYOZUBJUJVQF-UHFFFAOYSA-N
XLogP-4.03
TPSA59.86 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 5-4.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(1H-indazol-2-ium) dichloride?
The IUPAC name of bis(1H-indazol-2-ium) dichloride (CID 157402458) is bis(1H-indazol-2-ium) dichloride.
What is the SMILES notation for bis(1H-indazol-2-ium) dichloride?
The canonical SMILES for bis(1H-indazol-2-ium) dichloride is [Cl-].[Cl-].c1ccc2[nH][nH+]cc2c1.c1ccc2[nH][nH+]cc2c1.
What is the InChIKey of bis(1H-indazol-2-ium) dichloride?
The InChIKey is LNLYOZUBJUJVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2.2ClH/c2*1-2-4-7-6(3-1)5-8-9-7;;/h2*1-5H,(H,8,9);2*1H.
What are the key properties of bis(1H-indazol-2-ium) dichloride?
bis(1H-indazol-2-ium) dichloride has a molecular weight of 309.20 g/mol, XLogP of -4.03, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-indazol-2-ium) dichloride is sourced from PubChem (CID 157402458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).