6-azidohexanoyl chloride

C6H10ClN3O — CID 14580383

IUPAC6-azidohexanoyl chloride
SMILES[N-]=[N+]=NCCCCCC(=O)Cl
InChIInChI=1S/C6H10ClN3O/c7-6(11)4-2-1-3-5-9-10-8/h1-5H2
InChIKeyXJNLPJYSEYKBBY-UHFFFAOYSA-N
MW175.62 g/mol
LogP2.62
Rot. Bonds6

About 6-azidohexanoyl chloride

6-azidohexanoyl chloride (PubChem CID 14580383) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is 6-azidohexanoyl chloride.

Molecular Properties

Compound Name6-azidohexanoyl chloride
PubChem CID14580383
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name6-azidohexanoyl chloride
SMILES[N-]=[N+]=NCCCCCC(=O)Cl
InChIInChI=1S/C6H10ClN3O/c7-6(11)4-2-1-3-5-9-10-8/h1-5H2
InChIKeyXJNLPJYSEYKBBY-UHFFFAOYSA-N
XLogP2.62
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-azidobutanoyl chloride
CID 11105514
9-azidononanoic acid
CID 15230549
16-azidohexadecan-2-one
CID 56624829
1,14-diazidotetradecane
CID 146463967
6-azido-N-methylhexanamide
CID 130188396
7-azido-1,1,1-trifluoroheptan-2-one
CID 150586806
9-azidononanoic acid;9-bromononanoic acid
CID 160878363
14-azidotetradecane-2,5-dione
CID 135040428
9-aminononanoic acid;9-azidononanoic acid
CID 159969853
[2,3,4,5,6-pentakis(11-azidoundecanoyloxy)cyclohexyl] 11-azidoundecanoate
CID 102393083
methyl 12-azido-3-oxododecanoate
CID 166511245
(2,3,4,5,6-pentafluorophenyl) 6-azidohexanoate
CID 163715517

Frequently Asked Questions

What is the IUPAC name of 6-azidohexanoyl chloride?
The IUPAC name of 6-azidohexanoyl chloride (CID 14580383) is 6-azidohexanoyl chloride.
What is the SMILES notation for 6-azidohexanoyl chloride?
The canonical SMILES for 6-azidohexanoyl chloride is [N-]=[N+]=NCCCCCC(=O)Cl.
What is the InChIKey of 6-azidohexanoyl chloride?
The InChIKey is XJNLPJYSEYKBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O/c7-6(11)4-2-1-3-5-9-10-8/h1-5H2.
What are the key properties of 6-azidohexanoyl chloride?
6-azidohexanoyl chloride has a molecular weight of 175.62 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azidohexanoyl chloride is sourced from PubChem (CID 14580383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).