6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile

C20H11F3N4O — CID 171850874

IUPAC6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(Oc2cc(F)cc(F)c2F)cc(Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C20H11F3N4O/c21-12-5-16(22)20(23)18(6-12)28-15-7-14(10-24)27-19(9-15)26-13-2-1-11-3-4-25-17(11)8-13/h1-9,25H,(H,26,27)
InChIKeyUWNSNBUWBHJINC-UHFFFAOYSA-N
MW380.33 g/mol
LogP5.39
Rot. Bonds4

About 6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile

6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile (PubChem CID 171850874) has the molecular formula C20H11F3N4O and a molecular weight of 380.33 g/mol. Its IUPAC name is 6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile
PubChem CID171850874
Molecular FormulaC20H11F3N4O
Molecular Weight380.33 g/mol
Exact Mass380.09
IUPAC Name6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(Oc2cc(F)cc(F)c2F)cc(Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C20H11F3N4O/c21-12-5-16(22)20(23)18(6-12)28-15-7-14(10-24)27-19(9-15)26-13-2-1-11-3-4-25-17(11)8-13/h1-9,25H,(H,26,27)
InChIKeyUWNSNBUWBHJINC-UHFFFAOYSA-N
XLogP5.39
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.33
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile (CID 171850874) is 6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile is N#Cc1cc(Oc2cc(F)cc(F)c2F)cc(Nc2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile?
The InChIKey is UWNSNBUWBHJINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4O/c21-12-5-16(22)20(23)18(6-12)28-15-7-14(10-24)27-19(9-15)26-13-2-1-11-3-4-25-17(11)8-13/h1-9,25H,(H,26,27).
What are the key properties of 6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile?
6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile has a molecular weight of 380.33 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 171850874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).