6-chloro-4-fluoro-1-(oxan-2-yl)indazole

C12H12ClFN2O — CID 139346086

IUPAC6-chloro-4-fluoro-1-(oxan-2-yl)indazole
SMILESFc1cc(Cl)cc2c1cnn2C1CCCCO1
InChIInChI=1S/C12H12ClFN2O/c13-8-5-10(14)9-7-15-16(11(9)6-8)12-3-1-2-4-17-12/h5-7,12H,1-4H2
InChIKeyPRXFVTXWHWTCOL-UHFFFAOYSA-N
MW254.69 g/mol
LogP3.53
Rot. Bonds1

About 6-chloro-4-fluoro-1-(oxan-2-yl)indazole

6-chloro-4-fluoro-1-(oxan-2-yl)indazole (PubChem CID 139346086) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 6-chloro-4-fluoro-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name6-chloro-4-fluoro-1-(oxan-2-yl)indazole
PubChem CID139346086
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name6-chloro-4-fluoro-1-(oxan-2-yl)indazole
SMILESFc1cc(Cl)cc2c1cnn2C1CCCCO1
InChIInChI=1S/C12H12ClFN2O/c13-8-5-10(14)9-7-15-16(11(9)6-8)12-3-1-2-4-17-12/h5-7,12H,1-4H2
InChIKeyPRXFVTXWHWTCOL-UHFFFAOYSA-N
XLogP3.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-1-(oxan-2-yl)indazole?
The IUPAC name of 6-chloro-4-fluoro-1-(oxan-2-yl)indazole (CID 139346086) is 6-chloro-4-fluoro-1-(oxan-2-yl)indazole.
What is the SMILES notation for 6-chloro-4-fluoro-1-(oxan-2-yl)indazole?
The canonical SMILES for 6-chloro-4-fluoro-1-(oxan-2-yl)indazole is Fc1cc(Cl)cc2c1cnn2C1CCCCO1.
What is the InChIKey of 6-chloro-4-fluoro-1-(oxan-2-yl)indazole?
The InChIKey is PRXFVTXWHWTCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c13-8-5-10(14)9-7-15-16(11(9)6-8)12-3-1-2-4-17-12/h5-7,12H,1-4H2.
What are the key properties of 6-chloro-4-fluoro-1-(oxan-2-yl)indazole?
6-chloro-4-fluoro-1-(oxan-2-yl)indazole has a molecular weight of 254.69 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-1-(oxan-2-yl)indazole is sourced from PubChem (CID 139346086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).