1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole

C14H9ClFIN2 — CID 79785038

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole
SMILESFc1ccc(Cn2ncc3ccc(I)cc32)c(Cl)c1
InChIInChI=1S/C14H9ClFIN2/c15-13-5-11(16)3-1-10(13)8-19-14-6-12(17)4-2-9(14)7-18-19/h1-7H,8H2
InChIKeyPJJFFHRLACVZHS-UHFFFAOYSA-N
MW386.60 g/mol
LogP4.48
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole

1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole (PubChem CID 79785038) has the molecular formula C14H9ClFIN2 and a molecular weight of 386.60 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole
PubChem CID79785038
Molecular FormulaC14H9ClFIN2
Molecular Weight386.60 g/mol
Exact Mass385.95
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole
SMILESFc1ccc(Cn2ncc3ccc(I)cc32)c(Cl)c1
InChIInChI=1S/C14H9ClFIN2/c15-13-5-11(16)3-1-10(13)8-19-14-6-12(17)4-2-9(14)7-18-19/h1-7H,8H2
InChIKeyPJJFFHRLACVZHS-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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Related Compounds

1-[(3,5-difluorophenyl)methyl]-6-iodoindazole
CID 105411272
1-[(2,4-difluorophenyl)methyl]indazol-6-amine
CID 62197807
1-benzyl-6-fluoroindazole
CID 83414179
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
CID 53443819
3-[(2-chloro-4-fluorophenyl)methyl]-6-iodo-1,3-benzoxazol-2-one
CID 79787910
1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole
CID 79785127
3-chloro-4-(indazol-1-ylmethyl)benzoic acid
CID 102670055
2-(6-fluoroindazol-1-yl)acetaldehyde
CID 83827825
2-[(2-chloro-4-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223620
1-(3,3-dimethylbutyl)-6-iodoindazole
CID 79785410
1-(azetidin-3-ylmethyl)-6-fluoroindazole
CID 141365019

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole (CID 79785038) is 1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole is Fc1ccc(Cn2ncc3ccc(I)cc32)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole?
The InChIKey is PJJFFHRLACVZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFIN2/c15-13-5-11(16)3-1-10(13)8-19-14-6-12(17)4-2-9(14)7-18-19/h1-7H,8H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole?
1-[(2-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-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole is sourced from PubChem (CID 79785038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).