[6-methyl-4-(methylamino)-2-pyridinyl] acetate

C9H12N2O2 — CID 139385993

IUPAC[6-methyl-4-(methylamino)-2-pyridinyl] acetate
SMILESCNc1cc(C)nc(OC(C)=O)c1
InChIInChI=1S/C9H12N2O2/c1-6-4-8(10-3)5-9(11-6)13-7(2)12/h4-5H,1-3H3,(H,10,11)
InChIKeyZFZXQTALSYLKKQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.36
Rot. Bonds2

About [6-methyl-4-(methylamino)-2-pyridinyl] acetate

[6-methyl-4-(methylamino)-2-pyridinyl] acetate (PubChem CID 139385993) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is [6-methyl-4-(methylamino)-2-pyridinyl] acetate.

Molecular Properties

Compound Name[6-methyl-4-(methylamino)-2-pyridinyl] acetate
PubChem CID139385993
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name[6-methyl-4-(methylamino)-2-pyridinyl] acetate
SMILESCNc1cc(C)nc(OC(C)=O)c1
InChIInChI=1S/C9H12N2O2/c1-6-4-8(10-3)5-9(11-6)13-7(2)12/h4-5H,1-3H3,(H,10,11)
InChIKeyZFZXQTALSYLKKQ-UHFFFAOYSA-N
XLogP1.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(methylamino)-2-pyridinyl] acetate?
The IUPAC name of [6-methyl-4-(methylamino)-2-pyridinyl] acetate (CID 139385993) is [6-methyl-4-(methylamino)-2-pyridinyl] acetate.
What is the SMILES notation for [6-methyl-4-(methylamino)-2-pyridinyl] acetate?
The canonical SMILES for [6-methyl-4-(methylamino)-2-pyridinyl] acetate is CNc1cc(C)nc(OC(C)=O)c1.
What is the InChIKey of [6-methyl-4-(methylamino)-2-pyridinyl] acetate?
The InChIKey is ZFZXQTALSYLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-4-8(10-3)5-9(11-6)13-7(2)12/h4-5H,1-3H3,(H,10,11).
What are the key properties of [6-methyl-4-(methylamino)-2-pyridinyl] acetate?
[6-methyl-4-(methylamino)-2-pyridinyl] acetate has a molecular weight of 180.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(methylamino)-2-pyridinyl] acetate is sourced from PubChem (CID 139385993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).