[5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine

C15H13F2N3O — CID 171519059

IUPAC[5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine
SMILESNCc1cc2cc(F)c(OCc3cccc(F)n3)cc2[nH]1
InChIInChI=1S/C15H13F2N3O/c16-12-5-9-4-11(7-18)19-13(9)6-14(12)21-8-10-2-1-3-15(17)20-10/h1-6,19H,7-8,18H2
InChIKeyLJNOGOLGANEOJL-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.88
Rot. Bonds4

About [5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine

[5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine (PubChem CID 171519059) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is [5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine
PubChem CID171519059
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name[5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine
SMILESNCc1cc2cc(F)c(OCc3cccc(F)n3)cc2[nH]1
InChIInChI=1S/C15H13F2N3O/c16-12-5-9-4-11(7-18)19-13(9)6-14(12)21-8-10-2-1-3-15(17)20-10/h1-6,19H,7-8,18H2
InChIKeyLJNOGOLGANEOJL-UHFFFAOYSA-N
XLogP2.88
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine?
The IUPAC name of [5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine (CID 171519059) is [5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine.
What is the SMILES notation for [5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine?
The canonical SMILES for [5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine is NCc1cc2cc(F)c(OCc3cccc(F)n3)cc2[nH]1.
What is the InChIKey of [5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine?
The InChIKey is LJNOGOLGANEOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c16-12-5-9-4-11(7-18)19-13(9)6-14(12)21-8-10-2-1-3-15(17)20-10/h1-6,19H,7-8,18H2.
What are the key properties of [5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine?
[5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine has a molecular weight of 289.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-[(6-fluoro-2-pyridinyl)methoxy]-1H-indol-2-yl]methanamine is sourced from PubChem (CID 171519059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).