4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile

C16H9Cl2N3O2 — CID 137268810

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

4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 137268810) has the molecular formula C16H9Cl2N3O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 137268810
• Molecular Formula: C16H9Cl2N3O2
• Molecular Weight: 346.17 g/mol
• Exact Mass: 345.01
• IUPAC Name: 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
• SMILES: [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(Cl)c(Cl)c2)c1C#N
• InChI: InChI=1S/C16H9Cl2N3O2/c1-7-4-12-14(16(22)21-7)13(9(6-19)15(20)23-12)8-2-3-10(17)11(18)5-8/h2-5,20H,1H3,(H,21,22)/b20-15-
• InChIKey: GFPOHXBLGUHXEY-HKWRFOASSA-N
• XLogP: 3.75
• TPSA: 93.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.17
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 137268810) is 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile is [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(Cl)c(Cl)c2)c1C#N.

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

The InChIKey is GFPOHXBLGUHXEY-HKWRFOASSA-N. The full InChI is InChI=1S/C16H9Cl2N3O2/c1-7-4-12-14(16(22)21-7)13(9(6-19)15(20)23-12)8-2-3-10(17)11(18)5-8/h2-5,20H,1H3,(H,21,22)/b20-15-.

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

4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 346.17 g/mol, XLogP of 3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dichlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 137268810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).