methyl 3-azido-4-hydroxybenzoate

C8H7N3O3 — CID 62706001

IUPACmethyl 3-azido-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(N=[N+]=[N-])c1
InChIInChI=1S/C8H7N3O3/c1-14-8(13)5-2-3-7(12)6(4-5)10-11-9/h2-4,12H,1H3
InChIKeyNLIDUHOQJGPJIC-UHFFFAOYSA-N
MW193.16 g/mol
LogP2.12
Rot. Bonds2

About methyl 3-azido-4-hydroxybenzoate

methyl 3-azido-4-hydroxybenzoate (PubChem CID 62706001) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is methyl 3-azido-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-azido-4-hydroxybenzoate
PubChem CID62706001
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Namemethyl 3-azido-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(N=[N+]=[N-])c1
InChIInChI=1S/C8H7N3O3/c1-14-8(13)5-2-3-7(12)6(4-5)10-11-9/h2-4,12H,1H3
InChIKeyNLIDUHOQJGPJIC-UHFFFAOYSA-N
XLogP2.12
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

methane;methyl 3-azido-4-methylbenzoate
CID 167548243
methyl 3-azido-4-chlorobenzoate
CID 71512911
3-azido-4-hydroxy-N-methoxy-N-methylbenzamide
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methyl 4-(acetamidomethyl)-3-azidobenzoate
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methyl 3-azido-4-(2-methoxyanilino)benzoate
CID 169326171
methyl 4-hydroxy-3-(pyridin-2-ylmethylideneamino)benzoate
CID 136896258
methyl 4-azido-3,5-dibromobenzoate
CID 15005123
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 4-chloro-3-hydroxybenzoate
CID 11819787
ethane;methyl 3-bromo-4-hydroxybenzoate
CID 143655068
methyl 3,4-bis(methylideneamino)benzoate
CID 123145424
methyl 4-[(2-azidobenzoyl)amino]benzoate
CID 102433026

Frequently Asked Questions

What is the IUPAC name of methyl 3-azido-4-hydroxybenzoate?
The IUPAC name of methyl 3-azido-4-hydroxybenzoate (CID 62706001) is methyl 3-azido-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-azido-4-hydroxybenzoate?
The canonical SMILES for methyl 3-azido-4-hydroxybenzoate is COC(=O)c1ccc(O)c(N=[N+]=[N-])c1.
What is the InChIKey of methyl 3-azido-4-hydroxybenzoate?
The InChIKey is NLIDUHOQJGPJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-14-8(13)5-2-3-7(12)6(4-5)10-11-9/h2-4,12H,1H3.
What are the key properties of methyl 3-azido-4-hydroxybenzoate?
methyl 3-azido-4-hydroxybenzoate has a molecular weight of 193.16 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-azido-4-hydroxybenzoate is sourced from PubChem (CID 62706001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).