(2-chloro-6-methyl-4-pyridinyl) acetate

C8H8ClNO2 — CID 174361244

IUPAC(2-chloro-6-methyl-4-pyridinyl) acetate
SMILESCC(=O)Oc1cc(C)nc(Cl)c1
InChIInChI=1S/C8H8ClNO2/c1-5-3-7(12-6(2)11)4-8(9)10-5/h3-4H,1-2H3
InChIKeyACCKBEPVAIOOBB-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.97
Rot. Bonds1

About (2-chloro-6-methyl-4-pyridinyl) acetate

(2-chloro-6-methyl-4-pyridinyl) acetate (PubChem CID 174361244) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is (2-chloro-6-methyl-4-pyridinyl) acetate.

Molecular Properties

Compound Name(2-chloro-6-methyl-4-pyridinyl) acetate
PubChem CID174361244
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name(2-chloro-6-methyl-4-pyridinyl) acetate
SMILESCC(=O)Oc1cc(C)nc(Cl)c1
InChIInChI=1S/C8H8ClNO2/c1-5-3-7(12-6(2)11)4-8(9)10-5/h3-4H,1-2H3
InChIKeyACCKBEPVAIOOBB-UHFFFAOYSA-N
XLogP1.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 130089695
(2-methylquinolin-7-yl) acetate
CID 119085937
(2-chloro-4-methyl-1,3-benzothiazol-6-yl) acetate
CID 174707449
(2-chloroquinolin-7-yl) acetate
CID 174716501
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
CID 67900504
CID 67900504
2-chloro-6-methylpyridine-4-carboxamide
CID 59534429
2-chloro-4,6-dimethyl(213C,115N)pyridine
CID 130416231
(4-chlorophenyl) acetate
CID 13410
1-(2-chloro-6-methylpyrimidin-4-yl)ethanone
CID 142838976
(3-ethenyl-4,5-dimethylphenyl) acetate
CID 18976594

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methyl-4-pyridinyl) acetate?
The IUPAC name of (2-chloro-6-methyl-4-pyridinyl) acetate (CID 174361244) is (2-chloro-6-methyl-4-pyridinyl) acetate.
What is the SMILES notation for (2-chloro-6-methyl-4-pyridinyl) acetate?
The canonical SMILES for (2-chloro-6-methyl-4-pyridinyl) acetate is CC(=O)Oc1cc(C)nc(Cl)c1.
What is the InChIKey of (2-chloro-6-methyl-4-pyridinyl) acetate?
The InChIKey is ACCKBEPVAIOOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-5-3-7(12-6(2)11)4-8(9)10-5/h3-4H,1-2H3.
What are the key properties of (2-chloro-6-methyl-4-pyridinyl) acetate?
(2-chloro-6-methyl-4-pyridinyl) acetate has a molecular weight of 185.61 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methyl-4-pyridinyl) acetate is sourced from PubChem (CID 174361244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).