(5-amino-2-pyridinyl) formate

C6H6N2O2 — CID 58116290

IUPAC(5-amino-2-pyridinyl) formate
SMILESNc1ccc(OC=O)nc1
InChIInChI=1S/C6H6N2O2/c7-5-1-2-6(8-3-5)10-4-9/h1-4H,7H2
InChIKeyKEXMRYLVSNRJGO-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.20
Rot. Bonds2

About (5-amino-2-pyridinyl) formate

(5-amino-2-pyridinyl) formate (PubChem CID 58116290) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is (5-amino-2-pyridinyl) formate.

Molecular Properties

Compound Name(5-amino-2-pyridinyl) formate
PubChem CID58116290
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name(5-amino-2-pyridinyl) formate
SMILESNc1ccc(OC=O)nc1
InChIInChI=1S/C6H6N2O2/c7-5-1-2-6(8-3-5)10-4-9/h1-4H,7H2
InChIKeyKEXMRYLVSNRJGO-UHFFFAOYSA-N
XLogP0.20
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.20
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 (5-amino-2-pyridinyl) formate?
The IUPAC name of (5-amino-2-pyridinyl) formate (CID 58116290) is (5-amino-2-pyridinyl) formate.
What is the SMILES notation for (5-amino-2-pyridinyl) formate?
The canonical SMILES for (5-amino-2-pyridinyl) formate is Nc1ccc(OC=O)nc1.
What is the InChIKey of (5-amino-2-pyridinyl) formate?
The InChIKey is KEXMRYLVSNRJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c7-5-1-2-6(8-3-5)10-4-9/h1-4H,7H2.
What are the key properties of (5-amino-2-pyridinyl) formate?
(5-amino-2-pyridinyl) formate has a molecular weight of 138.13 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl) formate is sourced from PubChem (CID 58116290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).