2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile

C16H12N2O2 — CID 102204745

IUPAC2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2ccccc2C1c1cccc(O)c1
InChIInChI=1S/C16H12N2O2/c17-9-13-15(10-4-3-5-11(19)8-10)12-6-1-2-7-14(12)20-16(13)18/h1-8,15,19H,18H2
InChIKeyUQWANVHKYPRLMJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.61
Rot. Bonds1

About 2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile

2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile (PubChem CID 102204745) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile
PubChem CID102204745
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2ccccc2C1c1cccc(O)c1
InChIInChI=1S/C16H12N2O2/c17-9-13-15(10-4-3-5-11(19)8-10)12-6-1-2-7-14(12)20-16(13)18/h1-8,15,19H,18H2
InChIKeyUQWANVHKYPRLMJ-UHFFFAOYSA-N
XLogP2.61
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 766183
(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile
CID 752580
(4S)-2-amino-7-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-4H-chromene-3-carbonitrile
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2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile
CID 2837584
2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 4007247
(4S)-2,7-diamino-4-(3-iodophenyl)-4H-chromene-3-carbonitrile
CID 1243366
2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
CID 2835001
2-amino-7-hydroxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
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ethyl 6-amino-5-cyano-4-(3-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 5132156
2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3153844
(4R)-2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 752577

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile (CID 102204745) is 2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2ccccc2C1c1cccc(O)c1.
What is the InChIKey of 2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is UQWANVHKYPRLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-9-13-15(10-4-3-5-11(19)8-10)12-6-1-2-7-14(12)20-16(13)18/h1-8,15,19H,18H2.
What are the key properties of 2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile?
2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 264.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 102204745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).