(4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile

C18H15Cl2N3O3 — CID 134715955

About (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile

(4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 134715955) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 134715955
• Molecular Formula: C18H15Cl2N3O3
• Molecular Weight: 392.24 g/mol
• Exact Mass: 391.05
• IUPAC Name: (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile
• SMILES: [H]/N=C1\Oc2cc(C)n(CCO)c(=O)c2[C@H](c2ccc(Cl)cc2Cl)C1C#N
• InChI: InChI=1S/C18H15Cl2N3O3/c1-9-6-14-16(18(25)23(9)4-5-24)15(12(8-21)17(22)26-14)11-3-2-10(19)7-13(11)20/h2-3,6-7,12,15,22,24H,4-5H2,1H3/b22-17-/t12?,15-/m1/s1
• InChIKey: IKJOHLMDQXOGJM-BOJBVYNGSA-N
• XLogP: 3.10
• TPSA: 99.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.24
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

The IUPAC name of (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile (CID 134715955) is (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile.

What is the SMILES notation for (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

The canonical SMILES for (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile is [H]/N=C1\Oc2cc(C)n(CCO)c(=O)c2[C@H](c2ccc(Cl)cc2Cl)C1C#N.

What is the InChIKey of (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

The InChIKey is IKJOHLMDQXOGJM-BOJBVYNGSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-9-6-14-16(18(25)23(9)4-5-24)15(12(8-21)17(22)26-14)11-3-2-10(19)7-13(11)20/h2-3,6-7,12,15,22,24H,4-5H2,1H3/b22-17-/t12?,15-/m1/s1.

What are the key properties of (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile?

(4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 392.24 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-2-imino-7-methyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 134715955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).