2-(2,3-diazidophenyl)-2-phenylacetic acid

C14H10N6O2 — CID 150859978

IUPAC2-(2,3-diazidophenyl)-2-phenylacetic acid
SMILES[N-]=[N+]=Nc1cccc(C(C(=O)O)c2ccccc2)c1N=[N+]=[N-]
InChIInChI=1S/C14H10N6O2/c15-19-17-11-8-4-7-10(13(11)18-20-16)12(14(21)22)9-5-2-1-3-6-9/h1-8,12H,(H,21,22)
InChIKeyKRULDZFCJXJASG-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.79
Rot. Bonds5

About 2-(2,3-diazidophenyl)-2-phenylacetic acid

2-(2,3-diazidophenyl)-2-phenylacetic acid (PubChem CID 150859978) has the molecular formula C14H10N6O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(2,3-diazidophenyl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2,3-diazidophenyl)-2-phenylacetic acid
PubChem CID150859978
Molecular FormulaC14H10N6O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2-(2,3-diazidophenyl)-2-phenylacetic acid
SMILES[N-]=[N+]=Nc1cccc(C(C(=O)O)c2ccccc2)c1N=[N+]=[N-]
InChIInChI=1S/C14H10N6O2/c15-19-17-11-8-4-7-10(13(11)18-20-16)12(14(21)22)9-5-2-1-3-6-9/h1-8,12H,(H,21,22)
InChIKeyKRULDZFCJXJASG-UHFFFAOYSA-N
XLogP4.79
TPSA134.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

benzene-1,2-diol;2,2-diphenylacetic acid
CID 70395054
3-azido-2-(2-oxo-1,2-diphenylethyl)benzoic acid
CID 150530544
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
2-azido-N-(1-phenylethyl)benzamide
CID 169326494
(2R)-2-phenyl-2-(4-phenylphenyl)acetic acid
CID 38989084
(2,3-diazido-4,5,6-trihydroxyphenyl)-phenylmethanone
CID 150802254
(2S)-2-amino-4-(2-azidophenyl)butanoic acid
CID 172530036
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
1-azidophenanthrene
CID 14121608
2-azido-N-(2-azidobenzoyl)benzamide
CID 15319919

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diazidophenyl)-2-phenylacetic acid?
The IUPAC name of 2-(2,3-diazidophenyl)-2-phenylacetic acid (CID 150859978) is 2-(2,3-diazidophenyl)-2-phenylacetic acid.
What is the SMILES notation for 2-(2,3-diazidophenyl)-2-phenylacetic acid?
The canonical SMILES for 2-(2,3-diazidophenyl)-2-phenylacetic acid is [N-]=[N+]=Nc1cccc(C(C(=O)O)c2ccccc2)c1N=[N+]=[N-].
What is the InChIKey of 2-(2,3-diazidophenyl)-2-phenylacetic acid?
The InChIKey is KRULDZFCJXJASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2/c15-19-17-11-8-4-7-10(13(11)18-20-16)12(14(21)22)9-5-2-1-3-6-9/h1-8,12H,(H,21,22).
What are the key properties of 2-(2,3-diazidophenyl)-2-phenylacetic acid?
2-(2,3-diazidophenyl)-2-phenylacetic acid has a molecular weight of 294.27 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diazidophenyl)-2-phenylacetic acid is sourced from PubChem (CID 150859978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).