(2-amino-5-bromo-3-pyridinyl) formate

C6H5BrN2O2 — CID 121338216

IUPAC(2-amino-5-bromo-3-pyridinyl) formate
SMILESNc1ncc(Br)cc1OC=O
InChIInChI=1S/C6H5BrN2O2/c7-4-1-5(11-3-10)6(8)9-2-4/h1-3H,(H2,8,9)
InChIKeyQIRHISOYRVNHSY-UHFFFAOYSA-N
MW217.02 g/mol
LogP0.96
Rot. Bonds2

About (2-amino-5-bromo-3-pyridinyl) formate

(2-amino-5-bromo-3-pyridinyl) formate (PubChem CID 121338216) has the molecular formula C6H5BrN2O2 and a molecular weight of 217.02 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl) formate.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl) formate
PubChem CID121338216
Molecular FormulaC6H5BrN2O2
Molecular Weight217.02 g/mol
Exact Mass215.95
IUPAC Name(2-amino-5-bromo-3-pyridinyl) formate
SMILESNc1ncc(Br)cc1OC=O
InChIInChI=1S/C6H5BrN2O2/c7-4-1-5(11-3-10)6(8)9-2-4/h1-3H,(H2,8,9)
InChIKeyQIRHISOYRVNHSY-UHFFFAOYSA-N
XLogP0.96
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl) formate?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl) formate (CID 121338216) is (2-amino-5-bromo-3-pyridinyl) formate.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl) formate?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl) formate is Nc1ncc(Br)cc1OC=O.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl) formate?
The InChIKey is QIRHISOYRVNHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O2/c7-4-1-5(11-3-10)6(8)9-2-4/h1-3H,(H2,8,9).
What are the key properties of (2-amino-5-bromo-3-pyridinyl) formate?
(2-amino-5-bromo-3-pyridinyl) formate has a molecular weight of 217.02 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl) formate is sourced from PubChem (CID 121338216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).