5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid

C19H13FN2O3 — CID 11110462

IUPAC5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1
InChIInChI=1S/C19H13FN2O3/c20-13-6-7-14-15(10-13)22(11-12-4-2-1-3-5-12)21-18(14)16-8-9-17(25-16)19(23)24/h1-10H,11H2,(H,23,24)
InChIKeyFHGXHOVYGNZIKN-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.18
Rot. Bonds4

About 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid

5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid (PubChem CID 11110462) has the molecular formula C19H13FN2O3 and a molecular weight of 336.32 g/mol. Its IUPAC name is 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid
PubChem CID11110462
Molecular FormulaC19H13FN2O3
Molecular Weight336.32 g/mol
Exact Mass336.09
IUPAC Name5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1
InChIInChI=1S/C19H13FN2O3/c20-13-6-7-14-15(10-13)22(11-12-4-2-1-3-5-12)21-18(14)16-8-9-17(25-16)19(23)24/h1-10H,11H2,(H,23,24)
InChIKeyFHGXHOVYGNZIKN-UHFFFAOYSA-N
XLogP4.18
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid (CID 11110462) is 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2nn(Cc3ccccc3)c3cc(F)ccc23)o1.
What is the InChIKey of 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid?
The InChIKey is FHGXHOVYGNZIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3/c20-13-6-7-14-15(10-13)22(11-12-4-2-1-3-5-12)21-18(14)16-8-9-17(25-16)19(23)24/h1-10H,11H2,(H,23,24).
What are the key properties of 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid?
5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid has a molecular weight of 336.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylic acid is sourced from PubChem (CID 11110462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).