CID 163484529

C6H10I2NO2- — CID 163484529

IUPAC—
SMILESC[I-](C)(I)C(O)c1ncco1
InChIInChI=1S/C6H10I2NO2/c1-8(2,7)5(10)6-9-3-4-11-6/h3-5,10H,1-2H3/q-1
InChIKeyZXAOFYLKDWUFBT-UHFFFAOYSA-N
MW381.96 g/mol
LogP-1.56
Rot. Bonds2

About CID 163484529

CID 163484529 (PubChem CID 163484529) has the molecular formula C6H10I2NO2- and a molecular weight of 381.96 g/mol.

Molecular Properties

Compound NameCID 163484529
PubChem CID163484529
Molecular FormulaC6H10I2NO2-
Molecular Weight381.96 g/mol
Exact Mass381.88
IUPAC Name—
SMILESC[I-](C)(I)C(O)c1ncco1
InChIInChI=1S/C6H10I2NO2/c1-8(2,7)5(10)6-9-3-4-11-6/h3-5,10H,1-2H3/q-1
InChIKeyZXAOFYLKDWUFBT-UHFFFAOYSA-N
XLogP-1.56
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.96
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
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

2-[(1R)-1-iodoethyl]-1,3-oxazole
CID 149131745
ethane;2-propan-2-yl-1,3-oxazole
CID 143094389
(1S)-1-(1,3-oxazol-2-yl)ethanamine
CID 28924825
1-(1,3-oxazol-2-yl)ethanethiol
CID 142401633
2-amino-3,3-dimethyl-1-(1,3-oxazol-2-yl)butan-1-ol
CID 22053946
2-(dichloromethyl)-1,3-oxazole
CID 53407610
2-(difluoromethyl)-1,3-oxazole
CID 142510645
2-[(2S)-butan-2-yl]-1,3-oxazole
CID 89019255
2-(1,3-oxazol-2-yl)propanenitrile
CID 119087354
2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine
CID 82416552
(4-fluorophenyl)-(1,3-oxazol-2-yl)methanol
CID 68870928
2-(2-methylpentan-3-yl)-1,3-oxazole
CID 170118865

Frequently Asked Questions

What is the IUPAC name of CID 163484529?
The IUPAC name of CID 163484529 (CID 163484529) is not available.
What is the SMILES notation for CID 163484529?
The canonical SMILES for CID 163484529 is C[I-](C)(I)C(O)c1ncco1.
What is the InChIKey of CID 163484529?
The InChIKey is ZXAOFYLKDWUFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10I2NO2/c1-8(2,7)5(10)6-9-3-4-11-6/h3-5,10H,1-2H3/q-1.
What are the key properties of CID 163484529?
CID 163484529 has a molecular weight of 381.96 g/mol, XLogP of -1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163484529 is sourced from PubChem (CID 163484529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).