2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile

C15H11N3O2 — CID 4007247

IUPAC2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2ccc(O)cc2C1c1cccnc1
InChIInChI=1S/C15H11N3O2/c16-7-12-14(9-2-1-5-18-8-9)11-6-10(19)3-4-13(11)20-15(12)17/h1-6,8,14,19H,17H2
InChIKeyLGVWEJJLSOXGAM-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.01
Rot. Bonds1

About 2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile

2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile (PubChem CID 4007247) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
PubChem CID4007247
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2ccc(O)cc2C1c1cccnc1
InChIInChI=1S/C15H11N3O2/c16-7-12-14(9-2-1-5-18-8-9)11-6-10(19)3-4-13(11)20-15(12)17/h1-6,8,14,19H,17H2
InChIKeyLGVWEJJLSOXGAM-UHFFFAOYSA-N
XLogP2.01
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 3137559
2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile
CID 102204745
3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
CID 2839492
(4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile
CID 703560
3-[(4R)-2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl]-N-hydroxybenzeneamine oxide
CID 163147919
(4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile
CID 40527910
2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 171978678
(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
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
CID 915024
2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile
CID 2837584
(4R,7S)-2-amino-7-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 765477

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile (CID 4007247) is 2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2ccc(O)cc2C1c1cccnc1.
What is the InChIKey of 2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The InChIKey is LGVWEJJLSOXGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c16-7-12-14(9-2-1-5-18-8-9)11-6-10(19)3-4-13(11)20-15(12)17/h1-6,8,14,19H,17H2.
What are the key properties of 2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile has a molecular weight of 265.27 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile is sourced from PubChem (CID 4007247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).