6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine

C12H13ClFN3O — CID 171067589

IUPAC6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine
SMILESNc1cc(Cl)c(F)c2c1cnn2C1CCCCO1
InChIInChI=1S/C12H13ClFN3O/c13-8-5-9(15)7-6-16-17(12(7)11(8)14)10-3-1-2-4-18-10/h5-6,10H,1-4,15H2
InChIKeyBODCKLPGCYHUIH-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.11
Rot. Bonds1

About 6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine

6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine (PubChem CID 171067589) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is 6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine.

Molecular Properties

Compound Name6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine
PubChem CID171067589
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine
SMILESNc1cc(Cl)c(F)c2c1cnn2C1CCCCO1
InChIInChI=1S/C12H13ClFN3O/c13-8-5-9(15)7-6-16-17(12(7)11(8)14)10-3-1-2-4-18-10/h5-6,10H,1-4,15H2
InChIKeyBODCKLPGCYHUIH-UHFFFAOYSA-N
XLogP3.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine?
The IUPAC name of 6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine (CID 171067589) is 6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine.
What is the SMILES notation for 6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine?
The canonical SMILES for 6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine is Nc1cc(Cl)c(F)c2c1cnn2C1CCCCO1.
What is the InChIKey of 6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine?
The InChIKey is BODCKLPGCYHUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c13-8-5-9(15)7-6-16-17(12(7)11(8)14)10-3-1-2-4-18-10/h5-6,10H,1-4,15H2.
What are the key properties of 6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine?
6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine has a molecular weight of 269.71 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-1-(oxan-2-yl)indazol-4-amine is sourced from PubChem (CID 171067589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).