2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile

C23H14ClF3N4O2 — CID 171978678

About 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile

2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile (PubChem CID 171978678) has the molecular formula C23H14ClF3N4O2 and a molecular weight of 470.84 g/mol. Its IUPAC name is 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
• PubChem CID: 171978678
• Molecular Formula: C23H14ClF3N4O2
• Molecular Weight: 470.84 g/mol
• Exact Mass: 470.08
• IUPAC Name: 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
• SMILES: N#CC1=C(N)Oc2cc(O)c(/C=N/c3cc(C(F)(F)F)ccc3Cl)cc2C1c1cccnc1
• InChI: InChI=1S/C23H14ClF3N4O2/c24-17-4-3-14(23(25,26)27)7-18(17)31-11-13-6-15-20(8-19(13)32)33-22(29)16(9-28)21(15)12-2-1-5-30-10-12/h1-8,10-11,21,32H,29H2/b31-11+
• InChIKey: XQYDPBGGQUUCID-QFDQHJFZSA-N
• XLogP: 5.43
• TPSA: 104.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.84
LogP ≤ 5	5.43
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 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?

The IUPAC name of 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile (CID 171978678) is 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile.

What is the SMILES notation for 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?

The canonical SMILES for 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2cc(O)c(/C=N/c3cc(C(F)(F)F)ccc3Cl)cc2C1c1cccnc1.

What is the InChIKey of 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?

The InChIKey is XQYDPBGGQUUCID-QFDQHJFZSA-N. The full InChI is InChI=1S/C23H14ClF3N4O2/c24-17-4-3-14(23(25,26)27)7-18(17)31-11-13-6-15-20(8-19(13)32)33-22(29)16(9-28)21(15)12-2-1-5-30-10-12/h1-8,10-11,21,32H,29H2/b31-11+.

What are the key properties of 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile?

2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile has a molecular weight of 470.84 g/mol, XLogP of 5.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile is sourced from PubChem (CID 171978678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).