methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate

C14H10FN3O3 — CID 141422866

IUPACmethyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate
SMILESCOC(=O)c1ccc(-n2c(=O)[nH]c3cnccc32)c(F)c1
InChIInChI=1S/C14H10FN3O3/c1-21-13(19)8-2-3-11(9(15)6-8)18-12-4-5-16-7-10(12)17-14(18)20/h2-7H,1H3,(H,17,20)
InChIKeySLJQENXOIOIIND-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.64
Rot. Bonds2

About methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate

methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate (PubChem CID 141422866) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate
PubChem CID141422866
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Namemethyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate
SMILESCOC(=O)c1ccc(-n2c(=O)[nH]c3cnccc32)c(F)c1
InChIInChI=1S/C14H10FN3O3/c1-21-13(19)8-2-3-11(9(15)6-8)18-12-4-5-16-7-10(12)17-14(18)20/h2-7H,1H3,(H,17,20)
InChIKeySLJQENXOIOIIND-UHFFFAOYSA-N
XLogP1.64
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate?
The IUPAC name of methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate (CID 141422866) is methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate.
What is the SMILES notation for methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate?
The canonical SMILES for methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate is COC(=O)c1ccc(-n2c(=O)[nH]c3cnccc32)c(F)c1.
What is the InChIKey of methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate?
The InChIKey is SLJQENXOIOIIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c1-21-13(19)8-2-3-11(9(15)6-8)18-12-4-5-16-7-10(12)17-14(18)20/h2-7H,1H3,(H,17,20).
What are the key properties of methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate?
methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate has a molecular weight of 287.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate is sourced from PubChem (CID 141422866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).