methyl 2-fluoro-4-pyridin-3-ylbenzoate

C13H10FNO2 — CID 46317431

IUPACmethyl 2-fluoro-4-pyridin-3-ylbenzoate
SMILESCOC(=O)c1ccc(-c2cccnc2)cc1F
InChIInChI=1S/C13H10FNO2/c1-17-13(16)11-5-4-9(7-12(11)14)10-3-2-6-15-8-10/h2-8H,1H3
InChIKeyPXVKENXANUJFEO-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.67
Rot. Bonds2

About methyl 2-fluoro-4-pyridin-3-ylbenzoate

methyl 2-fluoro-4-pyridin-3-ylbenzoate (PubChem CID 46317431) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is methyl 2-fluoro-4-pyridin-3-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-pyridin-3-ylbenzoate
PubChem CID46317431
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Namemethyl 2-fluoro-4-pyridin-3-ylbenzoate
SMILESCOC(=O)c1ccc(-c2cccnc2)cc1F
InChIInChI=1S/C13H10FNO2/c1-17-13(16)11-5-4-9(7-12(11)14)10-3-2-6-15-8-10/h2-8H,1H3
InChIKeyPXVKENXANUJFEO-UHFFFAOYSA-N
XLogP2.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864
5-(3-fluoro-4-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53224143
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
methyl 2-fluoro-4-[(pyridin-3-ylamino)methyl]benzoate
CID 126507621
ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592
methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317589
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 53224145
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-pyridin-3-ylbenzoate?
The IUPAC name of methyl 2-fluoro-4-pyridin-3-ylbenzoate (CID 46317431) is methyl 2-fluoro-4-pyridin-3-ylbenzoate.
What is the SMILES notation for methyl 2-fluoro-4-pyridin-3-ylbenzoate?
The canonical SMILES for methyl 2-fluoro-4-pyridin-3-ylbenzoate is COC(=O)c1ccc(-c2cccnc2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-pyridin-3-ylbenzoate?
The InChIKey is PXVKENXANUJFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-17-13(16)11-5-4-9(7-12(11)14)10-3-2-6-15-8-10/h2-8H,1H3.
What are the key properties of methyl 2-fluoro-4-pyridin-3-ylbenzoate?
methyl 2-fluoro-4-pyridin-3-ylbenzoate has a molecular weight of 231.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-pyridin-3-ylbenzoate is sourced from PubChem (CID 46317431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).