1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol

C9H11ClN4O2 — CID 170825722

IUPAC1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H11ClN4O2/c10-5-1-2-7(11)6(3-5)9(16)8(15)4-13-14-12/h1-3,8-9,15-16H,4,11H2
InChIKeyDZJUFGVJJGYEIG-UHFFFAOYSA-N
MW242.67 g/mol
LogP1.63
Rot. Bonds4

About 1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol

1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol (PubChem CID 170825722) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol
PubChem CID170825722
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H11ClN4O2/c10-5-1-2-7(11)6(3-5)9(16)8(15)4-13-14-12/h1-3,8-9,15-16H,4,11H2
InChIKeyDZJUFGVJJGYEIG-UHFFFAOYSA-N
XLogP1.63
TPSA115.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-tert-butylphenyl)-3-azidopropane-1,2-diol
CID 170826678
2-(3-azido-1,2-dihydroxypropyl)-4-chlorobenzaldehyde
CID 170825905
1-(4-amino-2-chloro-3-fluorophenyl)-3-azidopropane-1,2-diol
CID 170826101
3-azido-1-(2,5-dichloro-3-fluorophenyl)propane-1,2-diol
CID 170825838
methyl 4-amino-3-(3-azido-1,2-dihydroxypropyl)benzoate
CID 170826697
1-(2-amino-5-chlorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873792
3-azido-1-(2-chloro-4-fluoro-3-methylphenyl)propane-1,2-diol
CID 170825868
1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170826043
1-(3-amino-5-chloro-2-pyridinyl)-3-azidopropane-1,2-diol
CID 170825667
3-azido-1-(4-chloro-2,6-difluorophenyl)propane-1,2-diol
CID 170827235
3-azido-1-(5-bromo-2-fluorophenyl)propane-1,2-diol
CID 170827097
4-azido-1-(5-chloro-2-hydroxyphenyl)butane-1,2-diol
CID 171879065

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol?
The IUPAC name of 1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol (CID 170825722) is 1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1cc(Cl)ccc1N.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol?
The InChIKey is DZJUFGVJJGYEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c10-5-1-2-7(11)6(3-5)9(16)8(15)4-13-14-12/h1-3,8-9,15-16H,4,11H2.
What are the key properties of 1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol?
1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol has a molecular weight of 242.67 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol is sourced from PubChem (CID 170825722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).