2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

C16H11FN2O3 — CID 2828690

IUPAC2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILESCc1cc2c(c(=O)o1)C(c1ccc(F)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H11FN2O3/c1-8-6-12-14(16(20)21-8)13(11(7-18)15(19)22-12)9-2-4-10(17)5-3-9/h2-6,13H,19H2,1H3
InChIKeyJYVSBGRSWBOVMQ-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.31
Rot. Bonds1

About 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile (PubChem CID 2828690) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
PubChem CID2828690
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILESCc1cc2c(c(=O)o1)C(c1ccc(F)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H11FN2O3/c1-8-6-12-14(16(20)21-8)13(11(7-18)15(19)22-12)9-2-4-10(17)5-3-9/h2-6,13H,19H2,1H3
InChIKeyJYVSBGRSWBOVMQ-UHFFFAOYSA-N
XLogP2.31
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile (CID 2828690) is 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile is Cc1cc2c(c(=O)o1)C(c1ccc(F)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The InChIKey is JYVSBGRSWBOVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c1-8-6-12-14(16(20)21-8)13(11(7-18)15(19)22-12)9-2-4-10(17)5-3-9/h2-6,13H,19H2,1H3.
What are the key properties of 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile has a molecular weight of 298.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile is sourced from PubChem (CID 2828690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).