(4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile

C15H10IN3O — CID 40527910

IUPAC(4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile
SMILESN#CC1=C(N)Oc2cnccc2[C@H]1c1cccc(I)c1
InChIInChI=1S/C15H10IN3O/c16-10-3-1-2-9(6-10)14-11-4-5-19-8-13(11)20-15(18)12(14)7-17/h1-6,8,14H,18H2/t14-/m1/s1
InChIKeyXJNHDDYYEFDXHL-CQSZACIVSA-N
MW375.17 g/mol
LogP2.90
Rot. Bonds1

About (4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile

(4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile (PubChem CID 40527910) has the molecular formula C15H10IN3O and a molecular weight of 375.17 g/mol. Its IUPAC name is (4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile
PubChem CID40527910
Molecular FormulaC15H10IN3O
Molecular Weight375.17 g/mol
Exact Mass374.99
IUPAC Name(4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile
SMILESN#CC1=C(N)Oc2cnccc2[C@H]1c1cccc(I)c1
InChIInChI=1S/C15H10IN3O/c16-10-3-1-2-9(6-10)14-11-4-5-19-8-13(11)20-15(18)12(14)7-17/h1-6,8,14H,18H2/t14-/m1/s1
InChIKeyXJNHDDYYEFDXHL-CQSZACIVSA-N
XLogP2.90
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4S)-2,7-diamino-4-(3-iodophenyl)-4H-chromene-3-carbonitrile
CID 1243366
(4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile
CID 749457
2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 4007247
2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile
CID 102204745
(4S)-6-amino-4-(3-iodophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1034721
(4S)-2-amino-7-hydroxy-4-(3-iodophenyl)-6-(naphthalen-1-yliminomethyl)-4H-chromene-3-carbonitrile
CID 137231535
2,7-diamino-4-(3,4-dichlorophenyl)-4H-chromene-3-carbonitrile
CID 2838875
(4R)-2-amino-4-(3-chlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 51524563
(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 766183
2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 3137559
3-[(4R)-2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl]-N-hydroxybenzeneamine oxide
CID 163147919
2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-chromene-3-carbonitrile
CID 3113922

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile (CID 40527910) is (4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile is N#CC1=C(N)Oc2cnccc2[C@H]1c1cccc(I)c1.
What is the InChIKey of (4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile?
The InChIKey is XJNHDDYYEFDXHL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H10IN3O/c16-10-3-1-2-9(6-10)14-11-4-5-19-8-13(11)20-15(18)12(14)7-17/h1-6,8,14H,18H2/t14-/m1/s1.
What are the key properties of (4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile?
(4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile has a molecular weight of 375.17 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 40527910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).