1-(2,5-dichloropyrimidin-4-yl)indazole

C11H6Cl2N4 — CID 79631898

IUPAC1-(2,5-dichloropyrimidin-4-yl)indazole
SMILESClc1ncc(Cl)c(-n2ncc3ccccc32)n1
InChIInChI=1S/C11H6Cl2N4/c12-8-6-14-11(13)16-10(8)17-9-4-2-1-3-7(9)5-15-17/h1-6H
InChIKeyNZZLLCVFSUKYRZ-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.12
Rot. Bonds1

About 1-(2,5-dichloropyrimidin-4-yl)indazole

1-(2,5-dichloropyrimidin-4-yl)indazole (PubChem CID 79631898) has the molecular formula C11H6Cl2N4 and a molecular weight of 265.10 g/mol. Its IUPAC name is 1-(2,5-dichloropyrimidin-4-yl)indazole.

Molecular Properties

Compound Name1-(2,5-dichloropyrimidin-4-yl)indazole
PubChem CID79631898
Molecular FormulaC11H6Cl2N4
Molecular Weight265.10 g/mol
Exact Mass264.00
IUPAC Name1-(2,5-dichloropyrimidin-4-yl)indazole
SMILESClc1ncc(Cl)c(-n2ncc3ccccc32)n1
InChIInChI=1S/C11H6Cl2N4/c12-8-6-14-11(13)16-10(8)17-9-4-2-1-3-7(9)5-15-17/h1-6H
InChIKeyNZZLLCVFSUKYRZ-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)indazole?
The IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)indazole (CID 79631898) is 1-(2,5-dichloropyrimidin-4-yl)indazole.
What is the SMILES notation for 1-(2,5-dichloropyrimidin-4-yl)indazole?
The canonical SMILES for 1-(2,5-dichloropyrimidin-4-yl)indazole is Clc1ncc(Cl)c(-n2ncc3ccccc32)n1.
What is the InChIKey of 1-(2,5-dichloropyrimidin-4-yl)indazole?
The InChIKey is NZZLLCVFSUKYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4/c12-8-6-14-11(13)16-10(8)17-9-4-2-1-3-7(9)5-15-17/h1-6H.
What are the key properties of 1-(2,5-dichloropyrimidin-4-yl)indazole?
1-(2,5-dichloropyrimidin-4-yl)indazole has a molecular weight of 265.10 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloropyrimidin-4-yl)indazole is sourced from PubChem (CID 79631898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).