2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid

C17H14FN3O5 — CID 175049603

IUPAC2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid
SMILESCOC(=O)c1cc(F)cc2[nH]c(-c3cc4c(o3)CN(C(=O)O)CC4)nc12
InChIInChI=1S/C17H14FN3O5/c1-25-16(22)10-5-9(18)6-11-14(10)20-15(19-11)12-4-8-2-3-21(17(23)24)7-13(8)26-12/h4-6H,2-3,7H2,1H3,(H,19,20)(H,23,24)
InChIKeyRHVYHIFSMHZPMM-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.78
Rot. Bonds2

About 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid

2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid (PubChem CID 175049603) has the molecular formula C17H14FN3O5 and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid
PubChem CID175049603
Molecular FormulaC17H14FN3O5
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid
SMILESCOC(=O)c1cc(F)cc2[nH]c(-c3cc4c(o3)CN(C(=O)O)CC4)nc12
InChIInChI=1S/C17H14FN3O5/c1-25-16(22)10-5-9(18)6-11-14(10)20-15(19-11)12-4-8-2-3-21(17(23)24)7-13(8)26-12/h4-6H,2-3,7H2,1H3,(H,19,20)(H,23,24)
InChIKeyRHVYHIFSMHZPMM-UHFFFAOYSA-N
XLogP2.78
TPSA108.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid?
The IUPAC name of 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid (CID 175049603) is 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid is COC(=O)c1cc(F)cc2[nH]c(-c3cc4c(o3)CN(C(=O)O)CC4)nc12.
What is the InChIKey of 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid?
The InChIKey is RHVYHIFSMHZPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O5/c1-25-16(22)10-5-9(18)6-11-14(10)20-15(19-11)12-4-8-2-3-21(17(23)24)7-13(8)26-12/h4-6H,2-3,7H2,1H3,(H,19,20)(H,23,24).
What are the key properties of 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid?
2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid has a molecular weight of 359.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 175049603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).