2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide

C14H12FN3O2 — CID 63578843

IUPAC2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1Cn1ccc2ccc(F)cc21
InChIInChI=1S/C14H12FN3O2/c15-10-2-1-9-3-5-18(12(9)7-10)8-13-11(4-6-20-13)14(19)17-16/h1-7H,8,16H2,(H,17,19)
InChIKeyMUSRGBRHXUKQFT-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.03
Rot. Bonds3

About 2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide

2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63578843) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63578843
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1Cn1ccc2ccc(F)cc21
InChIInChI=1S/C14H12FN3O2/c15-10-2-1-9-3-5-18(12(9)7-10)8-13-11(4-6-20-13)14(19)17-16/h1-7H,8,16H2,(H,17,19)
InChIKeyMUSRGBRHXUKQFT-UHFFFAOYSA-N
XLogP2.03
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide (CID 63578843) is 2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1Cn1ccc2ccc(F)cc21.
What is the InChIKey of 2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is MUSRGBRHXUKQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-10-2-1-9-3-5-18(12(9)7-10)8-13-11(4-6-20-13)14(19)17-16/h1-7H,8,16H2,(H,17,19).
What are the key properties of 2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide?
2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 273.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoroindol-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63578843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).