5-(1-chloroethyl)-1-(2-iodophenyl)triazole

C10H9ClIN3 — CID 130566765

IUPAC5-(1-chloroethyl)-1-(2-iodophenyl)triazole
SMILESCC(Cl)c1cnnn1-c1ccccc1I
InChIInChI=1S/C10H9ClIN3/c1-7(11)10-6-13-14-15(10)9-5-3-2-4-8(9)12/h2-7H,1H3
InChIKeySYYRXPBBITUHGV-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.17
Rot. Bonds2

About 5-(1-chloroethyl)-1-(2-iodophenyl)triazole

5-(1-chloroethyl)-1-(2-iodophenyl)triazole (PubChem CID 130566765) has the molecular formula C10H9ClIN3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1-(2-iodophenyl)triazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1-(2-iodophenyl)triazole
PubChem CID130566765
Molecular FormulaC10H9ClIN3
Molecular Weight333.56 g/mol
Exact Mass332.95
IUPAC Name5-(1-chloroethyl)-1-(2-iodophenyl)triazole
SMILESCC(Cl)c1cnnn1-c1ccccc1I
InChIInChI=1S/C10H9ClIN3/c1-7(11)10-6-13-14-15(10)9-5-3-2-4-8(9)12/h2-7H,1H3
InChIKeySYYRXPBBITUHGV-UHFFFAOYSA-N
XLogP3.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-iodophenyl)-5-(4-methylphenyl)triazole
CID 146163953
2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol
CID 117167122
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043267
2-(1-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666841
1-[5-(1-chloroethyl)triazol-1-yl]propan-2-ol
CID 130567159
5-(3-chloro-4-methylpentyl)-1-phenyltriazole
CID 114690591
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686363
(3-chloro-4-iodophenyl)-(3-phenyltriazol-4-yl)methanol
CID 103217123
2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531
1-(1-chloropropan-2-yl)-2-iodobenzene
CID 71337351
1-[3-(2-chloro-3-fluoro-4-pyridinyl)triazol-4-yl]ethanamine
CID 172615913
1-[3-(4-fluorophenyl)triazol-4-yl]ethanamine
CID 117167368

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-1-(2-iodophenyl)triazole?
The IUPAC name of 5-(1-chloroethyl)-1-(2-iodophenyl)triazole (CID 130566765) is 5-(1-chloroethyl)-1-(2-iodophenyl)triazole.
What is the SMILES notation for 5-(1-chloroethyl)-1-(2-iodophenyl)triazole?
The canonical SMILES for 5-(1-chloroethyl)-1-(2-iodophenyl)triazole is CC(Cl)c1cnnn1-c1ccccc1I.
What is the InChIKey of 5-(1-chloroethyl)-1-(2-iodophenyl)triazole?
The InChIKey is SYYRXPBBITUHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3/c1-7(11)10-6-13-14-15(10)9-5-3-2-4-8(9)12/h2-7H,1H3.
What are the key properties of 5-(1-chloroethyl)-1-(2-iodophenyl)triazole?
5-(1-chloroethyl)-1-(2-iodophenyl)triazole has a molecular weight of 333.56 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1-(2-iodophenyl)triazole is sourced from PubChem (CID 130566765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).