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

C10H13NO3 — CID 10584009

IUPAC(4-methoxy-3-methyl-2-pyridinyl)methyl acetate
SMILESCOc1ccnc(COC(C)=O)c1C
InChIInChI=1S/C10H13NO3/c1-7-9(6-14-8(2)12)11-5-4-10(7)13-3/h4-5H,6H2,1-3H3
InChIKeyRKTJYHWFUSJKOW-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.46
Rot. Bonds3

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

(4-methoxy-3-methyl-2-pyridinyl)methyl acetate (PubChem CID 10584009) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (4-methoxy-3-methyl-2-pyridinyl)methyl acetate.

Molecular Properties

Compound Name(4-methoxy-3-methyl-2-pyridinyl)methyl acetate
PubChem CID10584009
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(4-methoxy-3-methyl-2-pyridinyl)methyl acetate
SMILESCOc1ccnc(COC(C)=O)c1C
InChIInChI=1S/C10H13NO3/c1-7-9(6-14-8(2)12)11-5-4-10(7)13-3/h4-5H,6H2,1-3H3
InChIKeyRKTJYHWFUSJKOW-UHFFFAOYSA-N
XLogP1.46
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

S-[(4-methoxy-3-methyl-2-pyridinyl)methyl] ethanethioate
CID 22151433
[4-[2-(2-ethyl-1,3-dioxolan-2-yl)ethoxy]-3-methyl-2-pyridinyl]methyl acetate
CID 70888026
4-methoxy-3-methyl-2-propylpyridine
CID 89037214
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
(4-bromo-6-methoxy-3-methyl-2-pyridinyl)methyl acetate
CID 72942742
[4-chloro-3-(2-chloroethyl)-2-pyridinyl]methyl acetate
CID 138543489
2-(methoxymethyl)-3-methylpyridin-4-amine
CID 127009350
(4-methoxy-2-methyl-3-pyridinyl) acetate
CID 139337452
acetic acid;(5-methyl-2-pyridinyl)methyl acetate
CID 162312014
(2-chloropyrimidin-4-yl)methyl acetate
CID 121394527
(3-bromo-4-methoxy-2-pyridinyl)methanol
CID 14402959
(3,4-dimethoxy-2-pyridinyl)methyl 5-aminopyridine-2-carboxylate
CID 103173752

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methyl-2-pyridinyl)methyl acetate?
The IUPAC name of (4-methoxy-3-methyl-2-pyridinyl)methyl acetate (CID 10584009) is (4-methoxy-3-methyl-2-pyridinyl)methyl acetate.
What is the SMILES notation for (4-methoxy-3-methyl-2-pyridinyl)methyl acetate?
The canonical SMILES for (4-methoxy-3-methyl-2-pyridinyl)methyl acetate is COc1ccnc(COC(C)=O)c1C.
What is the InChIKey of (4-methoxy-3-methyl-2-pyridinyl)methyl acetate?
The InChIKey is RKTJYHWFUSJKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-9(6-14-8(2)12)11-5-4-10(7)13-3/h4-5H,6H2,1-3H3.
What are the key properties of (4-methoxy-3-methyl-2-pyridinyl)methyl acetate?
(4-methoxy-3-methyl-2-pyridinyl)methyl acetate has a molecular weight of 195.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methyl-2-pyridinyl)methyl acetate is sourced from PubChem (CID 10584009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).