3,4-dichloro-2H-indazole

C7H4Cl2N2 — CID 22402281

IUPAC3,4-dichloro-2H-indazole
SMILESClc1cccc2n[nH]c(Cl)c12
InChIInChI=1S/C7H4Cl2N2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11)
InChIKeyUAMXXVLTISVGEW-UHFFFAOYSA-N
MW187.03 g/mol
LogP2.87
Rot. Bonds

About 3,4-dichloro-2H-indazole

3,4-dichloro-2H-indazole (PubChem CID 22402281) has the molecular formula C7H4Cl2N2 and a molecular weight of 187.03 g/mol. Its IUPAC name is 3,4-dichloro-2H-indazole.

Molecular Properties

Compound Name3,4-dichloro-2H-indazole
PubChem CID22402281
Molecular FormulaC7H4Cl2N2
Molecular Weight187.03 g/mol
Exact Mass185.98
IUPAC Name3,4-dichloro-2H-indazole
SMILESClc1cccc2n[nH]c(Cl)c12
InChIInChI=1S/C7H4Cl2N2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11)
InChIKeyUAMXXVLTISVGEW-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2H-indazole?
The IUPAC name of 3,4-dichloro-2H-indazole (CID 22402281) is 3,4-dichloro-2H-indazole.
What is the SMILES notation for 3,4-dichloro-2H-indazole?
The canonical SMILES for 3,4-dichloro-2H-indazole is Clc1cccc2n[nH]c(Cl)c12.
What is the InChIKey of 3,4-dichloro-2H-indazole?
The InChIKey is UAMXXVLTISVGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H,10,11).
What are the key properties of 3,4-dichloro-2H-indazole?
3,4-dichloro-2H-indazole has a molecular weight of 187.03 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2H-indazole is sourced from PubChem (CID 22402281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).