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

C16H10FN3O2 — CID 137294235

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

4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 137294235) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 137294235
• Molecular Formula: C16H10FN3O2
• Molecular Weight: 295.27 g/mol
• Exact Mass: 295.08
• IUPAC Name: 4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
• SMILES: [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccccc2F)c1C#N
• InChI: InChI=1S/C16H10FN3O2/c1-8-6-12-14(16(21)20-8)13(10(7-18)15(19)22-12)9-4-2-3-5-11(9)17/h2-6,19H,1H3,(H,20,21)/b19-15-
• InChIKey: WRTCIAYRSUFEDI-CYVLTUHYSA-N
• XLogP: 2.59
• TPSA: 93.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.27
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 137294235) is 4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile is [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccccc2F)c1C#N.

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

The InChIKey is WRTCIAYRSUFEDI-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c1-8-6-12-14(16(21)20-8)13(10(7-18)15(19)22-12)9-4-2-3-5-11(9)17/h2-6,19H,1H3,(H,20,21)/b19-15-.

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

4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 295.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 137294235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).