(4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate

C10H12BrNO3 — CID 72942742

IUPAC(4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate
SMILESCOc1cc(Br)c(C)c(COC(C)=O)n1
InChIInChI=1S/C10H12BrNO3/c1-6-8(11)4-10(14-3)12-9(6)5-15-7(2)13/h4H,5H2,1-3H3
InChIKeyAAKXOYCWLNSSEZ-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.22
Rot. Bonds3

About (4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate

(4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate (PubChem CID 72942742) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is (4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate.

Molecular Properties

Compound Name(4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate
PubChem CID72942742
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name(4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate
SMILESCOc1cc(Br)c(C)c(COC(C)=O)n1
InChIInChI=1S/C10H12BrNO3/c1-6-8(11)4-10(14-3)12-9(6)5-15-7(2)13/h4H,5H2,1-3H3
InChIKeyAAKXOYCWLNSSEZ-UHFFFAOYSA-N
XLogP2.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate?
The IUPAC name of (4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate (CID 72942742) is (4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate.
What is the SMILES notation for (4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate?
The canonical SMILES for (4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate is COc1cc(Br)c(C)c(COC(C)=O)n1.
What is the InChIKey of (4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate?
The InChIKey is AAKXOYCWLNSSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-6-8(11)4-10(14-3)12-9(6)5-15-7(2)13/h4H,5H2,1-3H3.
What are the key properties of (4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate?
(4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate has a molecular weight of 274.11 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate is sourced from PubChem (CID 72942742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).