1-azido-6-chlorohexane;formic acid

C7H14ClN3O2 — CID 174686899

IUPAC1-azido-6-chlorohexane;formic acid
SMILESO=CO.[N-]=[N+]=NCCCCCCCl
InChIInChI=1S/C6H12ClN3.CH2O2/c7-5-3-1-2-4-6-9-10-8;2-1-3/h1-6H2;1H,(H,2,3)
InChIKeyBLDYEHHQVBZZTB-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.80
Rot. Bonds6

About 1-azido-6-chlorohexane;formic acid

1-azido-6-chlorohexane;formic acid (PubChem CID 174686899) has the molecular formula C7H14ClN3O2 and a molecular weight of 207.66 g/mol. Its IUPAC name is 1-azido-6-chlorohexane;formic acid.

Molecular Properties

Compound Name1-azido-6-chlorohexane;formic acid
PubChem CID174686899
Molecular FormulaC7H14ClN3O2
Molecular Weight207.66 g/mol
Exact Mass207.08
IUPAC Name1-azido-6-chlorohexane;formic acid
SMILESO=CO.[N-]=[N+]=NCCCCCCCl
InChIInChI=1S/C6H12ClN3.CH2O2/c7-5-3-1-2-4-6-9-10-8;2-1-3/h1-6H2;1H,(H,2,3)
InChIKeyBLDYEHHQVBZZTB-UHFFFAOYSA-N
XLogP2.80
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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'}

Analyze 1-azido-6-chlorohexane;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,14-diazidotetradecane
CID 146463967
(Z)-9-azido-1-chloronon-4-ene
CID 10631925
5-azidopentanal
CID 14471037
6-azidohexanoyl chloride
CID 14580383
6-azidohexan-1-ol
CID 11051778
10-azidodecan-1-ol
CID 4641376
9-azidononanoic acid
CID 15230549
6-azido-N-methylhexanamide
CID 130188396
5-azidopentyl acetate
CID 11159583
6-azido-1,1-dideuteriohexan-1-ol
CID 175904391
16-azidohexadecan-2-one
CID 56624829
9-azidononan-1-amine
CID 122424851

Frequently Asked Questions

What is the IUPAC name of 1-azido-6-chlorohexane;formic acid?
The IUPAC name of 1-azido-6-chlorohexane;formic acid (CID 174686899) is 1-azido-6-chlorohexane;formic acid.
What is the SMILES notation for 1-azido-6-chlorohexane;formic acid?
The canonical SMILES for 1-azido-6-chlorohexane;formic acid is O=CO.[N-]=[N+]=NCCCCCCCl.
What is the InChIKey of 1-azido-6-chlorohexane;formic acid?
The InChIKey is BLDYEHHQVBZZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClN3.CH2O2/c7-5-3-1-2-4-6-9-10-8;2-1-3/h1-6H2;1H,(H,2,3).
What are the key properties of 1-azido-6-chlorohexane;formic acid?
1-azido-6-chlorohexane;formic acid has a molecular weight of 207.66 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-6-chlorohexane;formic acid is sourced from PubChem (CID 174686899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).