(2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate

C9H12N2O4 — CID 174656005

IUPAC(2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate
SMILESCOc1cc(OC)c(COC=O)c(N)n1
InChIInChI=1S/C9H12N2O4/c1-13-7-3-8(14-2)11-9(10)6(7)4-15-5-12/h3,5H,4H2,1-2H3,(H2,10,11)
InChIKeyXXMVQRUOJVRKKH-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.35
Rot. Bonds5

About (2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate

(2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate (PubChem CID 174656005) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is (2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate.

Molecular Properties

Compound Name(2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate
PubChem CID174656005
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate
SMILESCOc1cc(OC)c(COC=O)c(N)n1
InChIInChI=1S/C9H12N2O4/c1-13-7-3-8(14-2)11-9(10)6(7)4-15-5-12/h3,5H,4H2,1-2H3,(H2,10,11)
InChIKeyXXMVQRUOJVRKKH-UHFFFAOYSA-N
XLogP0.35
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-4,6-dimethoxy-3-pyridinyl)methyl formate?
The IUPAC name of (2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate (CID 174656005) is (2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate.
What is the SMILES notation for (2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate?
The canonical SMILES for (2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate is COc1cc(OC)c(COC=O)c(N)n1.
What is the InChIKey of (2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate?
The InChIKey is XXMVQRUOJVRKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-13-7-3-8(14-2)11-9(10)6(7)4-15-5-12/h3,5H,4H2,1-2H3,(H2,10,11).
What are the key properties of (2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate?
(2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate has a molecular weight of 212.20 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,6-dimethoxy-3-pyridinyl)methyl formate is sourced from PubChem (CID 174656005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).