1-azido-1-chloropropan-2-ol

C3H6ClN3O — CID 89479194

IUPAC1-azido-1-chloropropan-2-ol
SMILESCC(O)C(Cl)N=[N+]=[N-]
InChIInChI=1S/C3H6ClN3O/c1-2(8)3(4)6-7-5/h2-3,8H,1H3
InChIKeyZAUCKIQXVZJNOW-UHFFFAOYSA-N
MW135.55 g/mol
LogP1.24
Rot. Bonds2

About 1-azido-1-chloropropan-2-ol

1-azido-1-chloropropan-2-ol (PubChem CID 89479194) has the molecular formula C3H6ClN3O and a molecular weight of 135.55 g/mol. Its IUPAC name is 1-azido-1-chloropropan-2-ol.

Molecular Properties

Compound Name1-azido-1-chloropropan-2-ol
PubChem CID89479194
Molecular FormulaC3H6ClN3O
Molecular Weight135.55 g/mol
Exact Mass135.02
IUPAC Name1-azido-1-chloropropan-2-ol
SMILESCC(O)C(Cl)N=[N+]=[N-]
InChIInChI=1S/C3H6ClN3O/c1-2(8)3(4)6-7-5/h2-3,8H,1H3
InChIKeyZAUCKIQXVZJNOW-UHFFFAOYSA-N
XLogP1.24
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.55
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-azido-1-chloropropan-2-ol
CID 89415134
2,4-diazidopentane
CID 78066525
1,1-diazidoethane
CID 57220591
2-azido-1-fluoropropane
CID 90071862
(2S,3S)-2-azido-3-methylpentanoyl chloride
CID 15953720
2-azido-1-iodopropane
CID 12812093
2-azidopropane-1,1,1-triol
CID 141130281
(1S)-1-chloropropane-1,2-diol
CID 57125002
2-azidopropanoic acid
CID 14720889
2-azido-4-methylpentan-3-one
CID 150180887
(3S)-2-[(2S)-2-azido-1,3-dihydroxypropoxy]butane-1,3-diol
CID 90352756
3-azido-1,1-diethoxybutan-2-ol
CID 14604202

Frequently Asked Questions

What is the IUPAC name of 1-azido-1-chloropropan-2-ol?
The IUPAC name of 1-azido-1-chloropropan-2-ol (CID 89479194) is 1-azido-1-chloropropan-2-ol.
What is the SMILES notation for 1-azido-1-chloropropan-2-ol?
The canonical SMILES for 1-azido-1-chloropropan-2-ol is CC(O)C(Cl)N=[N+]=[N-].
What is the InChIKey of 1-azido-1-chloropropan-2-ol?
The InChIKey is ZAUCKIQXVZJNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClN3O/c1-2(8)3(4)6-7-5/h2-3,8H,1H3.
What are the key properties of 1-azido-1-chloropropan-2-ol?
1-azido-1-chloropropan-2-ol has a molecular weight of 135.55 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-1-chloropropan-2-ol is sourced from PubChem (CID 89479194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).