1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine

C8H8ClIN2O — CID 153376900

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine
SMILESNN(I)c1c(Cl)ccc2c1CCO2
InChIInChI=1S/C8H8ClIN2O/c9-6-1-2-7-5(3-4-13-7)8(6)12(10)11/h1-2H,3-4,11H2
InChIKeyYAWBCSSJLCWQMN-UHFFFAOYSA-N
MW310.52 g/mol
LogP2.31
Rot. Bonds1

About 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine

1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine (PubChem CID 153376900) has the molecular formula C8H8ClIN2O and a molecular weight of 310.52 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine
PubChem CID153376900
Molecular FormulaC8H8ClIN2O
Molecular Weight310.52 g/mol
Exact Mass309.94
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine
SMILESNN(I)c1c(Cl)ccc2c1CCO2
InChIInChI=1S/C8H8ClIN2O/c9-6-1-2-7-5(3-4-13-7)8(6)12(10)11/h1-2H,3-4,11H2
InChIKeyYAWBCSSJLCWQMN-UHFFFAOYSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Chloro-2,3-dihydro-1-benzofuran-4-amine
CID 12669700
(2-Methyl-3-amino-4-chlorophenoxy)acetonitrile
CID 18789632
6-Chloro-2-(2-chloroethyl)-3-methoxyaniline
CID 18997252
1-Amino-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran
CID 19794430
5-Chloro-4-nitro-2,3-dihydro-1-benzofuran
CID 20398761
5-chloro-2,2,7-trimethyl-3H-1-benzofuran-4-amine
CID 20597786
5-Chloro-7-methyl-2,3-dihydro-1-benzofuran-4-amine
CID 20597787
6-chloro-2-(3,6-dihydro-2H-pyran-4-yl)-3-methoxy-phenylamine
CID 21093760
6-Chloro-3-methoxy-2-methylaniline
CID 22708811
4-Amino-5-chloro-2,3-dihydro-7-benzofuran-carbonitrile
CID 53931156
4-Amino-5,7-dichloro-2,3-dihydro-2-methylbenzofuran
CID 53971178
5,7-Dichloro-2,3-dihydro-4-hydrazino-2-methylbenzofuran
CID 54549881

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine (CID 153376900) is 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine is NN(I)c1c(Cl)ccc2c1CCO2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine?
The InChIKey is YAWBCSSJLCWQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClIN2O/c9-6-1-2-7-5(3-4-13-7)8(6)12(10)11/h1-2H,3-4,11H2.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine?
1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine has a molecular weight of 310.52 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine is sourced from PubChem (CID 153376900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).