methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate

C14H12FNO3 — CID 69001811

IUPACmethyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C14H12FNO3/c1-18-14(17)10-5-6-13(12(15)8-10)19-9-11-4-2-3-7-16-11/h2-8H,9H2,1H3
InChIKeyPOUGZEAWHCFJQJ-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.59
Rot. Bonds4

About methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate

methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate (PubChem CID 69001811) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
PubChem CID69001811
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Namemethyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C14H12FNO3/c1-18-14(17)10-5-6-13(12(15)8-10)19-9-11-4-2-3-7-16-11/h2-8H,9H2,1H3
InChIKeyPOUGZEAWHCFJQJ-UHFFFAOYSA-N
XLogP2.59
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
CID 142684298
methyl 4-fluoro-3-(pyridin-2-ylmethylamino)benzoate
CID 43684452
3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 29006324
methyl 3-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 71089392
methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate
CID 107690536
2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 168523388
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166253172
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
2-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609787
2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol
CID 143451373
methyl 5-methylsulfonyl-2-(pyridin-2-ylmethoxy)benzoate
CID 23503179

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate?
The IUPAC name of methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate (CID 69001811) is methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate.
What is the SMILES notation for methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate?
The canonical SMILES for methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate is COC(=O)c1ccc(OCc2ccccn2)c(F)c1.
What is the InChIKey of methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate?
The InChIKey is POUGZEAWHCFJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-18-14(17)10-5-6-13(12(15)8-10)19-9-11-4-2-3-7-16-11/h2-8H,9H2,1H3.
What are the key properties of methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate?
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate has a molecular weight of 261.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate is sourced from PubChem (CID 69001811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).