2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile

C19H14FN5O — CID 45490368

IUPAC2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)C(c1ccc(F)cc1)c1ccc(N)cc1O2
InChIInChI=1S/C19H14FN5O/c20-10-3-1-9(2-4-10)15-12-6-5-11(22)7-14(12)26-19-16(15)17(23)13(8-21)18(24)25-19/h1-7,15H,22H2,(H4,23,24,25)
InChIKeySLJJXBMBXHJBKK-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.12
Rot. Bonds1

About 2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile

2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 45490368) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID45490368
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)C(c1ccc(F)cc1)c1ccc(N)cc1O2
InChIInChI=1S/C19H14FN5O/c20-10-3-1-9(2-4-10)15-12-6-5-11(22)7-14(12)26-19-16(15)17(23)13(8-21)18(24)25-19/h1-7,15H,22H2,(H4,23,24,25)
InChIKeySLJJXBMBXHJBKK-UHFFFAOYSA-N
XLogP3.12
TPSA123.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 45490368) is 2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1N)C(c1ccc(F)cc1)c1ccc(N)cc1O2.
What is the InChIKey of 2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is SLJJXBMBXHJBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-10-3-1-9(2-4-10)15-12-6-5-11(22)7-14(12)26-19-16(15)17(23)13(8-21)18(24)25-19/h1-7,15H,22H2,(H4,23,24,25).
What are the key properties of 2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 347.35 g/mol, XLogP of 3.12, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-triamino-5-(4-fluorophenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 45490368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).