methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate

C14H10FN3O3 — CID 150095976

IUPACmethyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-n2c(=O)[nH]c3ccc(F)cc32)cn1
InChIInChI=1S/C14H10FN3O3/c1-21-13(19)11-5-3-9(7-16-11)18-12-6-8(15)2-4-10(12)17-14(18)20/h2-7H,1H3,(H,17,20)
InChIKeyDUFUXAVBIADBIC-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.64
Rot. Bonds2

About methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate

methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate (PubChem CID 150095976) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate
PubChem CID150095976
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Namemethyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-n2c(=O)[nH]c3ccc(F)cc32)cn1
InChIInChI=1S/C14H10FN3O3/c1-21-13(19)11-5-3-9(7-16-11)18-12-6-8(15)2-4-10(12)17-14(18)20/h2-7H,1H3,(H,17,20)
InChIKeyDUFUXAVBIADBIC-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 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate (CID 150095976) is methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate is COC(=O)c1ccc(-n2c(=O)[nH]c3ccc(F)cc32)cn1.
What is the InChIKey of methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate?
The InChIKey is DUFUXAVBIADBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c1-21-13(19)11-5-3-9(7-16-11)18-12-6-8(15)2-4-10(12)17-14(18)20/h2-7H,1H3,(H,17,20).
What are the key properties of methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate?
methyl 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate 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 5-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 150095976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).