(4-azido-2-pyridinyl) acetate

C7H6N4O2 — CID 150101306

IUPAC(4-azido-2-pyridinyl) acetate
SMILESCC(=O)Oc1cc(N=[N+]=[N-])ccn1
InChIInChI=1S/C7H6N4O2/c1-5(12)13-7-4-6(10-11-8)2-3-9-7/h2-4H,1H3
InChIKeyDVHRLRLXICTINC-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.95
Rot. Bonds2

About (4-azido-2-pyridinyl) acetate

(4-azido-2-pyridinyl) acetate (PubChem CID 150101306) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is (4-azido-2-pyridinyl) acetate.

Molecular Properties

Compound Name(4-azido-2-pyridinyl) acetate
PubChem CID150101306
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name(4-azido-2-pyridinyl) acetate
SMILESCC(=O)Oc1cc(N=[N+]=[N-])ccn1
InChIInChI=1S/C7H6N4O2/c1-5(12)13-7-4-6(10-11-8)2-3-9-7/h2-4H,1H3
InChIKeyDVHRLRLXICTINC-UHFFFAOYSA-N
XLogP1.95
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.95
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (4-azido-2-pyridinyl) acetate?
The IUPAC name of (4-azido-2-pyridinyl) acetate (CID 150101306) is (4-azido-2-pyridinyl) acetate.
What is the SMILES notation for (4-azido-2-pyridinyl) acetate?
The canonical SMILES for (4-azido-2-pyridinyl) acetate is CC(=O)Oc1cc(N=[N+]=[N-])ccn1.
What is the InChIKey of (4-azido-2-pyridinyl) acetate?
The InChIKey is DVHRLRLXICTINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-5(12)13-7-4-6(10-11-8)2-3-9-7/h2-4H,1H3.
What are the key properties of (4-azido-2-pyridinyl) acetate?
(4-azido-2-pyridinyl) acetate has a molecular weight of 178.15 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azido-2-pyridinyl) acetate is sourced from PubChem (CID 150101306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).