methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate

C14H12FNO2 — CID 86637794

IUPACmethyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(F)cn2)cc1
InChIInChI=1S/C14H12FNO2/c1-18-14(17)8-10-2-4-11(5-3-10)13-7-6-12(15)9-16-13/h2-7,9H,8H2,1H3
InChIKeyOEESYYUDZYGHKX-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.60
Rot. Bonds3

About methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate

methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate (PubChem CID 86637794) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate
PubChem CID86637794
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Namemethyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(F)cn2)cc1
InChIInChI=1S/C14H12FNO2/c1-18-14(17)8-10-2-4-11(5-3-10)13-7-6-12(15)9-16-13/h2-7,9H,8H2,1H3
InChIKeyOEESYYUDZYGHKX-UHFFFAOYSA-N
XLogP2.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate
CID 116880248
methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate
CID 166089309
methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate
CID 71051747
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
1-[5-(5-fluoro-2-pyridinyl)-2-pyridinyl]ethanone
CID 59162014
methyl 2-[4-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]acetate
CID 94014472
methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
CID 61312351
2,2,2-trifluoro-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethanone
CID 59161928
1-O-ethyl 3-O-methyl 2-[[6-(4-fluorophenyl)-3-pyridinyl]methoxy]-2-methylpropanedioate
CID 90294914
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
methyl 2-(4-methylsulfanylphenyl)acetate
CID 12067662

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate (CID 86637794) is methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate is COC(=O)Cc1ccc(-c2ccc(F)cn2)cc1.
What is the InChIKey of methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate?
The InChIKey is OEESYYUDZYGHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-18-14(17)8-10-2-4-11(5-3-10)13-7-6-12(15)9-16-13/h2-7,9H,8H2,1H3.
What are the key properties of methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate?
methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate has a molecular weight of 245.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-fluoro-2-pyridinyl)phenyl]acetate is sourced from PubChem (CID 86637794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).