2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine

C32H27Cl3F2N6 — CID 167656589

About 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine

2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine (PubChem CID 167656589) has the molecular formula C32H27Cl3F2N6 and a molecular weight of 639.97 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

• Compound Name: 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine
• PubChem CID: 167656589
• Molecular Formula: C32H27Cl3F2N6
• Molecular Weight: 639.97 g/mol
• Exact Mass: 638.13
• IUPAC Name: 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine
• SMILES: Cc1cc(N)c2c(c1)CCC2.Cc1cc2c(c(Nc3nc(Cl)c(C#N)cc3F)c1)CCC2.N#Cc1cc(F)c(Cl)nc1Cl
• InChI: InChI=1S/C16H13ClFN3.C10H13N.C6HCl2FN2/c1-9-5-10-3-2-4-12(10)14(6-9)20-16-13(18)7-11(8-19)15(17)21-16;1-7-5-8-3-2-4-9(8)10(11)6-7;7-5-3(2-10)1-4(9)6(8)11-5/h5-7H,2-4H2,1H3,(H,20,21);5-6H,2-4,11H2,1H3;1H
• InChIKey: RIUDQBRIZYPFER-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 111.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.97
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine?

The IUPAC name of 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine (CID 167656589) is 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine.

What is the SMILES notation for 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine?

The canonical SMILES for 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine is Cc1cc(N)c2c(c1)CCC2.Cc1cc2c(c(Nc3nc(Cl)c(C#N)cc3F)c1)CCC2.N#Cc1cc(F)c(Cl)nc1Cl.

What is the InChIKey of 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine?

The InChIKey is RIUDQBRIZYPFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3.C10H13N.C6HCl2FN2/c1-9-5-10-3-2-4-12(10)14(6-9)20-16-13(18)7-11(8-19)15(17)21-16;1-7-5-8-3-2-4-9(8)10(11)6-7;7-5-3(2-10)1-4(9)6(8)11-5/h5-7H,2-4H2,1H3,(H,20,21);5-6H,2-4,11H2,1H3;1H.

What are the key properties of 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine?

2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine has a molecular weight of 639.97 g/mol, XLogP of 8.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-fluoro-6-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]pyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;6-methyl-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 167656589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).