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

C9H10FNO2 — CID 131168247

IUPACmethyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(F)cc(C)n1
InChIInChI=1S/C9H10FNO2/c1-6-3-7(10)4-8(11-6)5-9(12)13-2/h3-4H,5H2,1-2H3
InChIKeyOHZAYYSQMABBOA-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.24
Rot. Bonds2

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

methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate (PubChem CID 131168247) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate
PubChem CID131168247
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namemethyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(F)cc(C)n1
InChIInChI=1S/C9H10FNO2/c1-6-3-7(10)4-8(11-6)5-9(12)13-2/h3-4H,5H2,1-2H3
InChIKeyOHZAYYSQMABBOA-UHFFFAOYSA-N
XLogP1.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-ethyl-6-methyl-2-pyridinyl)acetate
CID 59382426
methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate
CID 130839526
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119
methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134675916
methyl 2-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097135
methyl 2-(3-chloro-5-fluoro-2-methylphenyl)acetate
CID 130837002
methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134684328
methyl 2-(6-bromo-4-methoxy-2-pyridinyl)acetate
CID 133098108
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134675626
methyl 2-[4-cyano-5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685052

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate (CID 131168247) is methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate is COC(=O)Cc1cc(F)cc(C)n1.
What is the InChIKey of methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate?
The InChIKey is OHZAYYSQMABBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6-3-7(10)4-8(11-6)5-9(12)13-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate?
methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate has a molecular weight of 183.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate is sourced from PubChem (CID 131168247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).