1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole

C11H5Cl2FN4 — CID 130205862

IUPAC1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole
SMILESFc1nn(-c2nc(Cl)ncc2Cl)c2ccccc12
InChIInChI=1S/C11H5Cl2FN4/c12-7-5-15-11(13)16-10(7)18-8-4-2-1-3-6(8)9(14)17-18/h1-5H
InChIKeyGGILVLFFBCRBRI-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.26
Rot. Bonds1

About 1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole

1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole (PubChem CID 130205862) has the molecular formula C11H5Cl2FN4 and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole.

Molecular Properties

Compound Name1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole
PubChem CID130205862
Molecular FormulaC11H5Cl2FN4
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole
SMILESFc1nn(-c2nc(Cl)ncc2Cl)c2ccccc12
InChIInChI=1S/C11H5Cl2FN4/c12-7-5-15-11(13)16-10(7)18-8-4-2-1-3-6(8)9(14)17-18/h1-5H
InChIKeyGGILVLFFBCRBRI-UHFFFAOYSA-N
XLogP3.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.26
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)-3-fluoroindazole?
The IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole (CID 130205862) is 1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole.
What is the SMILES notation for 1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole?
The canonical SMILES for 1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole is Fc1nn(-c2nc(Cl)ncc2Cl)c2ccccc12.
What is the InChIKey of 1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole?
The InChIKey is GGILVLFFBCRBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN4/c12-7-5-15-11(13)16-10(7)18-8-4-2-1-3-6(8)9(14)17-18/h1-5H.
What are the key properties of 1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole?
1-(2,5-dichloropyrimidin-4-yl)-3-fluoroindazole has a molecular weight of 283.09 g/mol, XLogP of 3.26, 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)-3-fluoroindazole is sourced from PubChem (CID 130205862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).