(5-chloro-2-pyridinyl)methyl acetate

C8H8ClNO2 — CID 14517150

IUPAC(5-chloro-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1ccc(Cl)cn1
InChIInChI=1S/C8H8ClNO2/c1-6(11)12-5-8-3-2-7(9)4-10-8/h2-4H,5H2,1H3
InChIKeyDMRKPCIFFRBLRF-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.80
Rot. Bonds2

About (5-chloro-2-pyridinyl)methyl acetate

(5-chloro-2-pyridinyl)methyl acetate (PubChem CID 14517150) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)methyl acetate.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)methyl acetate
PubChem CID14517150
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name(5-chloro-2-pyridinyl)methyl acetate
SMILESCC(=O)OCc1ccc(Cl)cn1
InChIInChI=1S/C8H8ClNO2/c1-6(11)12-5-8-3-2-7(9)4-10-8/h2-4H,5H2,1H3
InChIKeyDMRKPCIFFRBLRF-UHFFFAOYSA-N
XLogP1.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
acetic acid;(5-methyl-2-pyridinyl)methyl acetate
CID 162312014
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
(4-chloro-5-fluoro-2-pyridinyl)methyl acetate
CID 68735259
[5-(hydroxymethyl)pyrazin-2-yl]methyl acetate
CID 59478480
(2-chloropyrimidin-4-yl)methyl acetate
CID 121394527
[5-[2-(2-fluoroethoxy)ethoxy]-2-pyridinyl]methyl acetate
CID 122423779
[5-(1,3-dioxolan-2-ylmethoxy)-2-pyridinyl]methyl acetate
CID 66630587
[9-(acetyloxymethyl)-1,10-phenanthrolin-2-yl]methyl acetate
CID 10969381
[5-(ethylcarbamoylcarbamoyl)-2-pyridinyl]methyl acetate
CID 67866156
(5-bromo-2-pyridinyl)methyl 2-amino-4-chlorobenzoate
CID 115622511
[(5-chloro-2-pyridinyl)amino] acetate
CID 55278960

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)methyl acetate?
The IUPAC name of (5-chloro-2-pyridinyl)methyl acetate (CID 14517150) is (5-chloro-2-pyridinyl)methyl acetate.
What is the SMILES notation for (5-chloro-2-pyridinyl)methyl acetate?
The canonical SMILES for (5-chloro-2-pyridinyl)methyl acetate is CC(=O)OCc1ccc(Cl)cn1.
What is the InChIKey of (5-chloro-2-pyridinyl)methyl acetate?
The InChIKey is DMRKPCIFFRBLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-6(11)12-5-8-3-2-7(9)4-10-8/h2-4H,5H2,1H3.
What are the key properties of (5-chloro-2-pyridinyl)methyl acetate?
(5-chloro-2-pyridinyl)methyl acetate has a molecular weight of 185.61 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)methyl acetate is sourced from PubChem (CID 14517150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).