methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate

C14H12FNO3 — CID 70699864

IUPACmethyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2cncc(OC)c2)cc1F
InChIInChI=1S/C14H12FNO3/c1-18-11-5-10(7-16-8-11)9-3-4-12(13(15)6-9)14(17)19-2/h3-8H,1-2H3
InChIKeyJQVYGWMNFLHRSE-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.68
Rot. Bonds3

About methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate

methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate (PubChem CID 70699864) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
PubChem CID70699864
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namemethyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2cncc(OC)c2)cc1F
InChIInChI=1S/C14H12FNO3/c1-18-11-5-10(7-16-8-11)9-3-4-12(13(15)6-9)14(17)19-2/h3-8H,1-2H3
InChIKeyJQVYGWMNFLHRSE-UHFFFAOYSA-N
XLogP2.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluoro-4-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53224143
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 2-fluoro-4-(6-oxo-1H-pyridazin-4-yl)benzoate
CID 122590621
methyl 5-(3,4-difluorophenyl)pyridine-3-carboxylate
CID 71304429
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate
CID 147521974
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate
CID 53219657
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
methyl 2-fluoro-4-(4-isocyanatophenyl)benzoate
CID 169355226
methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate
CID 71060843

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate?
The IUPAC name of methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate (CID 70699864) is methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate.
What is the SMILES notation for methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate?
The canonical SMILES for methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate is COC(=O)c1ccc(-c2cncc(OC)c2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate?
The InChIKey is JQVYGWMNFLHRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-18-11-5-10(7-16-8-11)9-3-4-12(13(15)6-9)14(17)19-2/h3-8H,1-2H3.
What are the key properties of methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate?
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate has a molecular weight of 261.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate is sourced from PubChem (CID 70699864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).