2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile

C10H11N5O — CID 66188798

IUPAC2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile
SMILESN#CC(NCCN=[N+]=[N-])c1cccc(O)c1
InChIInChI=1S/C10H11N5O/c11-7-10(13-4-5-14-15-12)8-2-1-3-9(16)6-8/h1-3,6,10,13,16H,4-5H2
InChIKeySSQRYWOUACEBTD-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.86
Rot. Bonds5

About 2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile

2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile (PubChem CID 66188798) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile
PubChem CID66188798
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile
SMILESN#CC(NCCN=[N+]=[N-])c1cccc(O)c1
InChIInChI=1S/C10H11N5O/c11-7-10(13-4-5-14-15-12)8-2-1-3-9(16)6-8/h1-3,6,10,13,16H,4-5H2
InChIKeySSQRYWOUACEBTD-UHFFFAOYSA-N
XLogP1.86
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 66189085
3-[(3-azidopropylamino)-cyanomethyl]benzonitrile
CID 66189683
2-(3-azidopropylamino)-2-(3-chlorophenyl)acetonitrile
CID 66189089
2-(butylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 84816576
4-[(2-azidoethylamino)-cyanomethyl]benzonitrile
CID 66188603
2-(2-azidoethylamino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 66190376
2-(2-azidoethylamino)-2-(1,3-benzodioxol-5-yl)acetonitrile
CID 66188791
2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid
CID 84816456
2-(3-azidopropylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 66190070
2-[(2-azidoethylamino)-cyanomethyl]benzonitrile
CID 107936421
2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid
CID 66190099
2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile (CID 66188798) is 2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile is N#CC(NCCN=[N+]=[N-])c1cccc(O)c1.
What is the InChIKey of 2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile?
The InChIKey is SSQRYWOUACEBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-7-10(13-4-5-14-15-12)8-2-1-3-9(16)6-8/h1-3,6,10,13,16H,4-5H2.
What are the key properties of 2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile?
2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile has a molecular weight of 217.23 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-2-(3-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 66188798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).