6-azido-7-iodoheptanoic acid

C7H12IN3O2 — CID 91483379

IUPAC6-azido-7-iodoheptanoic acid
SMILES[N-]=[N+]=NC(CI)CCCCC(=O)O
InChIInChI=1S/C7H12IN3O2/c8-5-6(10-11-9)3-1-2-4-7(12)13/h6H,1-5H2,(H,12,13)
InChIKeyVSDRZCREGURWSO-UHFFFAOYSA-N
MW297.10 g/mol
LogP2.75
Rot. Bonds7

About 6-azido-7-iodoheptanoic acid

6-azido-7-iodoheptanoic acid (PubChem CID 91483379) has the molecular formula C7H12IN3O2 and a molecular weight of 297.10 g/mol. Its IUPAC name is 6-azido-7-iodoheptanoic acid.

Molecular Properties

Compound Name6-azido-7-iodoheptanoic acid
PubChem CID91483379
Molecular FormulaC7H12IN3O2
Molecular Weight297.10 g/mol
Exact Mass297.00
IUPAC Name6-azido-7-iodoheptanoic acid
SMILES[N-]=[N+]=NC(CI)CCCCC(=O)O
InChIInChI=1S/C7H12IN3O2/c8-5-6(10-11-9)3-1-2-4-7(12)13/h6H,1-5H2,(H,12,13)
InChIKeyVSDRZCREGURWSO-UHFFFAOYSA-N
XLogP2.75
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 53422645
6-azidodecanamide
CID 175969614
3-azido-10-methylundecanoic acid
CID 139971697
3-azidopentanedioic acid
CID 150148119
15-(azidomethyl)triacontanedioic acid
CID 172687977
3-azido-7-methyloctanoic acid
CID 139971705
9-azidononanoic acid
CID 15230549
hexadecane-1,6,7,16-tetracarboxylic acid
CID 90941074
octanoic acid;trihexyl(tetradecyl)phosphanium
CID 175390516
3-azido-6-phenylhexanoic acid
CID 139971707
sodium;hydride;6-methylheptanoic acid
CID 174475906
6,12-diaminoheptadecanedioic acid
CID 23455605

Frequently Asked Questions

What is the IUPAC name of 6-azido-7-iodoheptanoic acid?
The IUPAC name of 6-azido-7-iodoheptanoic acid (CID 91483379) is 6-azido-7-iodoheptanoic acid.
What is the SMILES notation for 6-azido-7-iodoheptanoic acid?
The canonical SMILES for 6-azido-7-iodoheptanoic acid is [N-]=[N+]=NC(CI)CCCCC(=O)O.
What is the InChIKey of 6-azido-7-iodoheptanoic acid?
The InChIKey is VSDRZCREGURWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12IN3O2/c8-5-6(10-11-9)3-1-2-4-7(12)13/h6H,1-5H2,(H,12,13).
What are the key properties of 6-azido-7-iodoheptanoic acid?
6-azido-7-iodoheptanoic acid has a molecular weight of 297.10 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-7-iodoheptanoic acid is sourced from PubChem (CID 91483379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).