1-(5-chloro-3-pyridinyl)-4-fluoroindazole

C12H7ClFN3 — CID 90252768

IUPAC1-(5-chloro-3-pyridinyl)-4-fluoroindazole
SMILESFc1cccc2c1cnn2-c1cncc(Cl)c1
InChIInChI=1S/C12H7ClFN3/c13-8-4-9(6-15-5-8)17-12-3-1-2-11(14)10(12)7-16-17/h1-7H
InChIKeyWBOWFLZCAUJLHH-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.21
Rot. Bonds1

About 1-(5-chloro-3-pyridinyl)-4-fluoroindazole

1-(5-chloro-3-pyridinyl)-4-fluoroindazole (PubChem CID 90252768) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 1-(5-chloro-3-pyridinyl)-4-fluoroindazole.

Molecular Properties

Compound Name1-(5-chloro-3-pyridinyl)-4-fluoroindazole
PubChem CID90252768
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name1-(5-chloro-3-pyridinyl)-4-fluoroindazole
SMILESFc1cccc2c1cnn2-c1cncc(Cl)c1
InChIInChI=1S/C12H7ClFN3/c13-8-4-9(6-15-5-8)17-12-3-1-2-11(14)10(12)7-16-17/h1-7H
InChIKeyWBOWFLZCAUJLHH-UHFFFAOYSA-N
XLogP3.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-pyridinyl)-4-fluoroindazole?
The IUPAC name of 1-(5-chloro-3-pyridinyl)-4-fluoroindazole (CID 90252768) is 1-(5-chloro-3-pyridinyl)-4-fluoroindazole.
What is the SMILES notation for 1-(5-chloro-3-pyridinyl)-4-fluoroindazole?
The canonical SMILES for 1-(5-chloro-3-pyridinyl)-4-fluoroindazole is Fc1cccc2c1cnn2-c1cncc(Cl)c1.
What is the InChIKey of 1-(5-chloro-3-pyridinyl)-4-fluoroindazole?
The InChIKey is WBOWFLZCAUJLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-8-4-9(6-15-5-8)17-12-3-1-2-11(14)10(12)7-16-17/h1-7H.
What are the key properties of 1-(5-chloro-3-pyridinyl)-4-fluoroindazole?
1-(5-chloro-3-pyridinyl)-4-fluoroindazole has a molecular weight of 247.66 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-pyridinyl)-4-fluoroindazole is sourced from PubChem (CID 90252768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).