1-ethyl-5-iodoindazole

C9H9IN2 — CID 175216814

IUPAC1-ethyl-5-iodoindazole
SMILESCCn1ncc2cc(I)ccc21
InChIInChI=1S/C9H9IN2/c1-2-12-9-4-3-8(10)5-7(9)6-11-12/h3-6H,2H2,1H3
InChIKeyPOWRRQFMZIXUIK-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.66
Rot. Bonds1

About 1-ethyl-5-iodoindazole

1-ethyl-5-iodoindazole (PubChem CID 175216814) has the molecular formula C9H9IN2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 1-ethyl-5-iodoindazole.

Molecular Properties

Compound Name1-ethyl-5-iodoindazole
PubChem CID175216814
Molecular FormulaC9H9IN2
Molecular Weight272.09 g/mol
Exact Mass271.98
IUPAC Name1-ethyl-5-iodoindazole
SMILESCCn1ncc2cc(I)ccc21
InChIInChI=1S/C9H9IN2/c1-2-12-9-4-3-8(10)5-7(9)6-11-12/h3-6H,2H2,1H3
InChIKeyPOWRRQFMZIXUIK-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.66
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

potassium (1-ethylindazol-5-yl)-trifluoroboranuide
CID 166000493
1-ethylindazole;propane
CID 143188130
1-(1-ethylindazol-5-yl)-N-methylethanamine
CID 84721771
2-(1-ethylindazol-5-yl)propanoic acid
CID 84724339
1-(3,3-dimethylbutyl)-6-iodoindazole
CID 79785410
5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one
CID 138687318
(5-iodoindazol-1-yl)-tri(propan-2-yl)silane
CID 67044267
1-(1-ethylindazol-5-yl)-3-methylthiourea
CID 119082148
6-deuterio-1-ethylindazole
CID 175709829
1-(1-ethylindazol-5-yl)pyrrolidin-3-ol
CID 175779535
5-(2,5-dihydropyridin-4-yl)-1-ethylindazole
CID 67007467
9-ethyl-3,6-diiodocarbazole
CID 4167061

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-iodoindazole?
The IUPAC name of 1-ethyl-5-iodoindazole (CID 175216814) is 1-ethyl-5-iodoindazole.
What is the SMILES notation for 1-ethyl-5-iodoindazole?
The canonical SMILES for 1-ethyl-5-iodoindazole is CCn1ncc2cc(I)ccc21.
What is the InChIKey of 1-ethyl-5-iodoindazole?
The InChIKey is POWRRQFMZIXUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2/c1-2-12-9-4-3-8(10)5-7(9)6-11-12/h3-6H,2H2,1H3.
What are the key properties of 1-ethyl-5-iodoindazole?
1-ethyl-5-iodoindazole has a molecular weight of 272.09 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-iodoindazole is sourced from PubChem (CID 175216814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).