2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one

C16H14FNO2 — CID 68753375

IUPAC2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one
SMILESCCCC(F)c1ccc2c(=O)c3ccccc3oc2n1
InChIInChI=1S/C16H14FNO2/c1-2-5-12(17)13-9-8-11-15(19)10-6-3-4-7-14(10)20-16(11)18-13/h3-4,6-9,12H,2,5H2,1H3
InChIKeyXTYFDFJIEVPSIW-UHFFFAOYSA-N
MW271.29 g/mol
LogP4.15
Rot. Bonds3

About 2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one

2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one (PubChem CID 68753375) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one
PubChem CID68753375
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one
SMILESCCCC(F)c1ccc2c(=O)c3ccccc3oc2n1
InChIInChI=1S/C16H14FNO2/c1-2-5-12(17)13-9-8-11-15(19)10-6-3-4-7-14(10)20-16(11)18-13/h3-4,6-9,12H,2,5H2,1H3
InChIKeyXTYFDFJIEVPSIW-UHFFFAOYSA-N
XLogP4.15
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one?
The IUPAC name of 2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one (CID 68753375) is 2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one is CCCC(F)c1ccc2c(=O)c3ccccc3oc2n1.
What is the InChIKey of 2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one?
The InChIKey is XTYFDFJIEVPSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-2-5-12(17)13-9-8-11-15(19)10-6-3-4-7-14(10)20-16(11)18-13/h3-4,6-9,12H,2,5H2,1H3.
What are the key properties of 2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one?
2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one has a molecular weight of 271.29 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 68753375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).