2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile

C16H11FN2O2 — CID 604608

IUPAC2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(O)ccc2C1c1ccccc1F
InChIInChI=1S/C16H11FN2O2/c17-13-4-2-1-3-10(13)15-11-6-5-9(20)7-14(11)21-16(19)12(15)8-18/h1-7,15,20H,19H2
InChIKeyVFLUQOJSEVHLBI-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.75
Rot. Bonds1

About 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile

2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile (PubChem CID 604608) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
PubChem CID604608
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(O)ccc2C1c1ccccc1F
InChIInChI=1S/C16H11FN2O2/c17-13-4-2-1-3-10(13)15-11-6-5-9(20)7-14(11)21-16(19)12(15)8-18/h1-7,15,20H,19H2
InChIKeyVFLUQOJSEVHLBI-UHFFFAOYSA-N
XLogP2.75
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromen-3-YL cyanide
CID 9923922
2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
CID 604603
2-amino-4-(2,5-dimethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 4264350
2-amino-7-methoxy-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 9879649
(4R)-2-amino-7-methoxy-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 92974409
2-amino-5-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 2842645
2-Amino-7-hydroxy-4-(3-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 604523
2-amino-4-(2,4-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 73143827
2-amino-4-(2-ethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 78738037
2-Amino-4-(2,3-dimethoxyphenyl)-7-methoxy-4H-chromen-3-YL cyanide
CID 78738043
2-amino-4-(3,4-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 91972340
2-amino-7-methoxy-4-(4-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 102565298

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile (CID 604608) is 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2cc(O)ccc2C1c1ccccc1F.
What is the InChIKey of 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile?
The InChIKey is VFLUQOJSEVHLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-13-4-2-1-3-10(13)15-11-6-5-9(20)7-14(11)21-16(19)12(15)8-18/h1-7,15,20H,19H2.
What are the key properties of 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile?
2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile has a molecular weight of 282.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile is sourced from PubChem (CID 604608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).