(4-amino-3-pyridinyl) methyl carbonate

C7H8N2O3 — CID 69121660

IUPAC(4-amino-3-pyridinyl) methyl carbonate
SMILESCOC(=O)Oc1cnccc1N
InChIInChI=1S/C7H8N2O3/c1-11-7(10)12-6-4-9-3-2-5(6)8/h2-4H,1H3,(H2,8,9)
InChIKeyAVXXGRJDJUWOGH-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.81
Rot. Bonds1

About (4-amino-3-pyridinyl) methyl carbonate

(4-amino-3-pyridinyl) methyl carbonate (PubChem CID 69121660) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (4-amino-3-pyridinyl) methyl carbonate.

Molecular Properties

Compound Name(4-amino-3-pyridinyl) methyl carbonate
PubChem CID69121660
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(4-amino-3-pyridinyl) methyl carbonate
SMILESCOC(=O)Oc1cnccc1N
InChIInChI=1S/C7H8N2O3/c1-11-7(10)12-6-4-9-3-2-5(6)8/h2-4H,1H3,(H2,8,9)
InChIKeyAVXXGRJDJUWOGH-UHFFFAOYSA-N
XLogP0.81
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl) methyl carbonate?
The IUPAC name of (4-amino-3-pyridinyl) methyl carbonate (CID 69121660) is (4-amino-3-pyridinyl) methyl carbonate.
What is the SMILES notation for (4-amino-3-pyridinyl) methyl carbonate?
The canonical SMILES for (4-amino-3-pyridinyl) methyl carbonate is COC(=O)Oc1cnccc1N.
What is the InChIKey of (4-amino-3-pyridinyl) methyl carbonate?
The InChIKey is AVXXGRJDJUWOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-11-7(10)12-6-4-9-3-2-5(6)8/h2-4H,1H3,(H2,8,9).
What are the key properties of (4-amino-3-pyridinyl) methyl carbonate?
(4-amino-3-pyridinyl) methyl carbonate has a molecular weight of 168.15 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl) methyl carbonate is sourced from PubChem (CID 69121660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).