4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C13H14FNO4 — CID 58317132

IUPAC4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCCCF)c2C(=O)N1
InChIInChI=1S/C13H14FNO4/c14-5-3-1-2-4-8-6-11(17)19-9-7-10(16)15-13(18)12(8)9/h6H,1-5,7H2,(H,15,16,18)
InChIKeyBVXBCORTXYRXCJ-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.13
Rot. Bonds5

About 4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317132) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317132
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCCCF)c2C(=O)N1
InChIInChI=1S/C13H14FNO4/c14-5-3-1-2-4-8-6-11(17)19-9-7-10(16)15-13(18)12(8)9/h6H,1-5,7H2,(H,15,16,18)
InChIKeyBVXBCORTXYRXCJ-UHFFFAOYSA-N
XLogP1.13
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187456
7-methylidene-4-(5,5,5-trifluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187480
6-(fluoromethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187495
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187647
4-butyl-6-(1-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187711
4-butyl-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187712
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
4-(5,5-difluoro-4-methylpent-4-enyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317013
4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317055
4-butyl-6-(difluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317059
4-[[(1S)-3,3-difluorocyclopentyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317062

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317132) is 4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCCCF)c2C(=O)N1.
What is the InChIKey of 4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is BVXBCORTXYRXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-5-3-1-2-4-8-6-11(17)19-9-7-10(16)15-13(18)12(8)9/h6H,1-5,7H2,(H,15,16,18).
What are the key properties of 4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 267.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).