4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole

C12H11ClFIN2O — CID 171567702

IUPAC4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
SMILESFc1cc2c(cnn2C2CCCCO2)c(Cl)c1I
InChIInChI=1S/C12H11ClFIN2O/c13-11-7-6-16-17(10-3-1-2-4-18-10)9(7)5-8(14)12(11)15/h5-6,10H,1-4H2
InChIKeyDQJLVPMPTDOWKR-UHFFFAOYSA-N
MW380.59 g/mol
LogP4.13
Rot. Bonds1

About 4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole

4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole (PubChem CID 171567702) has the molecular formula C12H11ClFIN2O and a molecular weight of 380.59 g/mol. Its IUPAC name is 4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
PubChem CID171567702
Molecular FormulaC12H11ClFIN2O
Molecular Weight380.59 g/mol
Exact Mass379.96
IUPAC Name4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
SMILESFc1cc2c(cnn2C2CCCCO2)c(Cl)c1I
InChIInChI=1S/C12H11ClFIN2O/c13-11-7-6-16-17(10-3-1-2-4-18-10)9(7)5-8(14)12(11)15/h5-6,10H,1-4H2
InChIKeyDQJLVPMPTDOWKR-UHFFFAOYSA-N
XLogP4.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.59
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole?
The IUPAC name of 4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole (CID 171567702) is 4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole.
What is the SMILES notation for 4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole?
The canonical SMILES for 4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole is Fc1cc2c(cnn2C2CCCCO2)c(Cl)c1I.
What is the InChIKey of 4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole?
The InChIKey is DQJLVPMPTDOWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFIN2O/c13-11-7-6-16-17(10-3-1-2-4-18-10)9(7)5-8(14)12(11)15/h5-6,10H,1-4H2.
What are the key properties of 4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole?
4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole has a molecular weight of 380.59 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole is sourced from PubChem (CID 171567702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).