6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile

C10H4FNO3 — CID 88962102

IUPAC6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile
SMILESN#Cc1cc2cc(F)c(O)cc2oc1=O
InChIInChI=1S/C10H4FNO3/c11-7-2-5-1-6(4-12)10(14)15-9(5)3-8(7)13/h1-3,13H
InChIKeyGCIOCLDLWFISFD-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.51
Rot. Bonds

About 6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile

6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile (PubChem CID 88962102) has the molecular formula C10H4FNO3 and a molecular weight of 205.14 g/mol. Its IUPAC name is 6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile
PubChem CID88962102
Molecular FormulaC10H4FNO3
Molecular Weight205.14 g/mol
Exact Mass205.02
IUPAC Name6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile
SMILESN#Cc1cc2cc(F)c(O)cc2oc1=O
InChIInChI=1S/C10H4FNO3/c11-7-2-5-1-6(4-12)10(14)15-9(5)3-8(7)13/h1-3,13H
InChIKeyGCIOCLDLWFISFD-UHFFFAOYSA-N
XLogP1.51
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile?
The IUPAC name of 6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile (CID 88962102) is 6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile.
What is the SMILES notation for 6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile?
The canonical SMILES for 6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile is N#Cc1cc2cc(F)c(O)cc2oc1=O.
What is the InChIKey of 6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile?
The InChIKey is GCIOCLDLWFISFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4FNO3/c11-7-2-5-1-6(4-12)10(14)15-9(5)3-8(7)13/h1-3,13H.
What are the key properties of 6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile?
6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile has a molecular weight of 205.14 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile is sourced from PubChem (CID 88962102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).