1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole

C14H9ClFIN2 — CID 103042233

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole
SMILESFc1ccc(Cn2ncc3ccc(I)cc32)cc1Cl
InChIInChI=1S/C14H9ClFIN2/c15-12-5-9(1-4-13(12)16)8-19-14-6-11(17)3-2-10(14)7-18-19/h1-7H,8H2
InChIKeyOCINUNAKENPRRJ-UHFFFAOYSA-N
MW386.60 g/mol
LogP4.48
Rot. Bonds2

About 1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole

1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole (PubChem CID 103042233) has the molecular formula C14H9ClFIN2 and a molecular weight of 386.60 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole
PubChem CID103042233
Molecular FormulaC14H9ClFIN2
Molecular Weight386.60 g/mol
Exact Mass385.95
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole
SMILESFc1ccc(Cn2ncc3ccc(I)cc32)cc1Cl
InChIInChI=1S/C14H9ClFIN2/c15-12-5-9(1-4-13(12)16)8-19-14-6-11(17)3-2-10(14)7-18-19/h1-7H,8H2
InChIKeyOCINUNAKENPRRJ-UHFFFAOYSA-N
XLogP4.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.60
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole (CID 103042233) is 1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole is Fc1ccc(Cn2ncc3ccc(I)cc32)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole?
The InChIKey is OCINUNAKENPRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFIN2/c15-12-5-9(1-4-13(12)16)8-19-14-6-11(17)3-2-10(14)7-18-19/h1-7H,8H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole?
1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole has a molecular weight of 386.60 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-6-iodoindazole is sourced from PubChem (CID 103042233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).