1-[(3,5-difluorophenyl)methyl]-6-iodoindazole

C14H9F2IN2 — CID 105411272

IUPAC1-[(3,5-difluorophenyl)methyl]-6-iodoindazole
SMILESFc1cc(F)cc(Cn2ncc3ccc(I)cc32)c1
InChIInChI=1S/C14H9F2IN2/c15-11-3-9(4-12(16)5-11)8-19-14-6-13(17)2-1-10(14)7-18-19/h1-7H,8H2
InChIKeyYSTITGHXZIJICN-UHFFFAOYSA-N
MW370.14 g/mol
LogP3.97
Rot. Bonds2

About 1-[(3,5-difluorophenyl)methyl]-6-iodoindazole

1-[(3,5-difluorophenyl)methyl]-6-iodoindazole (PubChem CID 105411272) has the molecular formula C14H9F2IN2 and a molecular weight of 370.14 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-6-iodoindazole.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-6-iodoindazole
PubChem CID105411272
Molecular FormulaC14H9F2IN2
Molecular Weight370.14 g/mol
Exact Mass369.98
IUPAC Name1-[(3,5-difluorophenyl)methyl]-6-iodoindazole
SMILESFc1cc(F)cc(Cn2ncc3ccc(I)cc32)c1
InChIInChI=1S/C14H9F2IN2/c15-11-3-9(4-12(16)5-11)8-19-14-6-13(17)2-1-10(14)7-18-19/h1-7H,8H2
InChIKeyYSTITGHXZIJICN-UHFFFAOYSA-N
XLogP3.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.14
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole
CID 79785038
1-benzyl-6-fluoroindazole
CID 83414179
1-(3,3-dimethylbutyl)-6-iodoindazole
CID 79785410
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
6-iodo-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]indazole
CID 79785413
1-[(3,5-dimethylphenyl)methyl]indazol-6-amine
CID 54911286
1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole
CID 79785127
6-iodo-1-(4-methoxybutyl)indazole
CID 104650837
5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one
CID 138687318
1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine
CID 107880816
[1-(pyridin-3-ylmethyl)indazol-6-yl]methanol
CID 90133560
1-[(2,4-difluorophenyl)methyl]indazol-6-amine
CID 62197807

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-6-iodoindazole?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-6-iodoindazole (CID 105411272) is 1-[(3,5-difluorophenyl)methyl]-6-iodoindazole.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-6-iodoindazole?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-6-iodoindazole is Fc1cc(F)cc(Cn2ncc3ccc(I)cc32)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-6-iodoindazole?
The InChIKey is YSTITGHXZIJICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2IN2/c15-11-3-9(4-12(16)5-11)8-19-14-6-13(17)2-1-10(14)7-18-19/h1-7H,8H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-6-iodoindazole?
1-[(3,5-difluorophenyl)methyl]-6-iodoindazole has a molecular weight of 370.14 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-6-iodoindazole is sourced from PubChem (CID 105411272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).