5-fluoro-2H-indole-3-carboxamide

C9H7FN2O — CID 124517537

IUPAC5-fluoro-2H-indole-3-carboxamide
SMILESNC(=O)C1=c2cc(F)ccc2=NC1
InChIInChI=1S/C9H7FN2O/c10-5-1-2-8-6(3-5)7(4-12-8)9(11)13/h1-3H,4H2,(H2,11,13)
InChIKeyORLLUUDEQDEUKA-UHFFFAOYSA-N
MW178.17 g/mol
LogP-0.91
Rot. Bonds1

About 5-fluoro-2H-indole-3-carboxamide

5-fluoro-2H-indole-3-carboxamide (PubChem CID 124517537) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 5-fluoro-2H-indole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2H-indole-3-carboxamide
PubChem CID124517537
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name5-fluoro-2H-indole-3-carboxamide
SMILESNC(=O)C1=c2cc(F)ccc2=NC1
InChIInChI=1S/C9H7FN2O/c10-5-1-2-8-6(3-5)7(4-12-8)9(11)13/h1-3H,4H2,(H2,11,13)
InChIKeyORLLUUDEQDEUKA-UHFFFAOYSA-N
XLogP-0.91
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2H-indole-3-carboxamide?
The IUPAC name of 5-fluoro-2H-indole-3-carboxamide (CID 124517537) is 5-fluoro-2H-indole-3-carboxamide.
What is the SMILES notation for 5-fluoro-2H-indole-3-carboxamide?
The canonical SMILES for 5-fluoro-2H-indole-3-carboxamide is NC(=O)C1=c2cc(F)ccc2=NC1.
What is the InChIKey of 5-fluoro-2H-indole-3-carboxamide?
The InChIKey is ORLLUUDEQDEUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-5-1-2-8-6(3-5)7(4-12-8)9(11)13/h1-3H,4H2,(H2,11,13).
What are the key properties of 5-fluoro-2H-indole-3-carboxamide?
5-fluoro-2H-indole-3-carboxamide has a molecular weight of 178.17 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2H-indole-3-carboxamide is sourced from PubChem (CID 124517537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).