2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile

C19H11FN2O3 — CID 4060700

IUPAC2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2oc3ccccc3c(=O)c2C1c1ccc(F)cc1
InChIInChI=1S/C19H11FN2O3/c20-11-7-5-10(6-8-11)15-13(9-21)18(22)25-19-16(15)17(23)12-3-1-2-4-14(12)24-19/h1-8,15H,22H2
InChIKeyAFJQXPWUJJNGGO-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.15
Rot. Bonds1

About 2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile

2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile (PubChem CID 4060700) has the molecular formula C19H11FN2O3 and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
PubChem CID4060700
Molecular FormulaC19H11FN2O3
Molecular Weight334.31 g/mol
Exact Mass334.08
IUPAC Name2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2oc3ccccc3c(=O)c2C1c1ccc(F)cc1
InChIInChI=1S/C19H11FN2O3/c20-11-7-5-10(6-8-11)15-13(9-21)18(22)25-19-16(15)17(23)12-3-1-2-4-14(12)24-19/h1-8,15H,22H2
InChIKeyAFJQXPWUJJNGGO-UHFFFAOYSA-N
XLogP3.15
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 680068
(4R)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 680069
(4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 1261430
(4S)-2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 1258765
(4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 722148
13-phenyl-2,4,22-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),5,7,9,16,18,20-octaene-11,15-dione
CID 100831307
2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2815057
(4R)-2-amino-4-(3,4-difluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 1099039
(4R)-2-amino-4-(4-tert-butylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 100817215
2-amino-4-(4-tert-butylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 102552229
(4R)-2-amino-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 673966
(4R)-2-amino-8-methoxy-5-oxo-4-(3-propan-2-yloxyphenyl)-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 1261478

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile (CID 4060700) is 2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile is N#CC1=C(N)Oc2oc3ccccc3c(=O)c2C1c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
The InChIKey is AFJQXPWUJJNGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2O3/c20-11-7-5-10(6-8-11)15-13(9-21)18(22)25-19-16(15)17(23)12-3-1-2-4-14(12)24-19/h1-8,15H,22H2.
What are the key properties of 2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile?
2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile has a molecular weight of 334.31 g/mol, XLogP of 3.15, 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)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile is sourced from PubChem (CID 4060700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).