4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline

C70H41Cl11F5N9 — CID 158164548

About 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline

4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline (PubChem CID 158164548) has the molecular formula C70H41Cl11F5N9 and a molecular weight of 1493.13 g/mol. Its IUPAC name is 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline.

Molecular Properties

• Compound Name: 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline
• PubChem CID: 158164548
• Molecular Formula: C70H41Cl11F5N9
• Molecular Weight: 1493.13 g/mol
• Exact Mass: 1487.00
• IUPAC Name: 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline
• SMILES: Cc1c(-c2ccccn2)nc2cc(F)c(-c3ccccn3)cc2c1Cl.Cc1c(-c2ccccn2)nc2cc(F)c(Cl)cc2c1Cl.Cc1c(-c2ccccn2)nc2ccc(Cl)c(F)c2c1Cl.Cc1c(Cl)nc2cc(F)c(Cl)cc2c1Cl.Cc1c(Cl)nc2ccc(Cl)c(F)c2c1Cl
• InChI: InChI=1S/C20H13ClFN3.2C15H9Cl2FN2.2C10H5Cl3FN/c1-12-19(21)14-10-13(16-6-2-4-8-23-16)15(22)11-18(14)25-20(12)17-7-3-5-9-24-17;1-8-13(17)12-10(6-5-9(16)14(12)18)20-15(8)11-4-2-3-7-19-11;1-8-14(17)9-6-10(16)11(18)7-13(9)20-15(8)12-4-2-3-5-19-12;1-4-9(12)5-2-6(11)7(14)3-8(5)15-10(4)13;1-4-8(12)7-6(15-10(4)13)3-2-5(11)9(7)14/h2-11H,1H3;2*2-7H,1H3;2*2-3H,1H3
• InChIKey: FWRJMMKOWGDGKA-UHFFFAOYSA-N
• XLogP: 24.85
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1493.13
LogP ≤ 5	24.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline?

The IUPAC name of 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline (CID 158164548) is 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline.

What is the SMILES notation for 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline?

The canonical SMILES for 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline is Cc1c(-c2ccccn2)nc2cc(F)c(-c3ccccn3)cc2c1Cl.Cc1c(-c2ccccn2)nc2cc(F)c(Cl)cc2c1Cl.Cc1c(-c2ccccn2)nc2ccc(Cl)c(F)c2c1Cl.Cc1c(Cl)nc2cc(F)c(Cl)cc2c1Cl.Cc1c(Cl)nc2ccc(Cl)c(F)c2c1Cl.

What is the InChIKey of 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline?

The InChIKey is FWRJMMKOWGDGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3.2C15H9Cl2FN2.2C10H5Cl3FN/c1-12-19(21)14-10-13(16-6-2-4-8-23-16)15(22)11-18(14)25-20(12)17-7-3-5-9-24-17;1-8-13(17)12-10(6-5-9(16)14(12)18)20-15(8)11-4-2-3-7-19-11;1-8-14(17)9-6-10(16)11(18)7-13(9)20-15(8)12-4-2-3-5-19-12;1-4-9(12)5-2-6(11)7(14)3-8(5)15-10(4)13;1-4-8(12)7-6(15-10(4)13)3-2-5(11)9(7)14/h2-11H,1H3;2*2-7H,1H3;2*2-3H,1H3.

What are the key properties of 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline?

4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline has a molecular weight of 1493.13 g/mol, XLogP of 24.85, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-7-fluoro-3-methyl-2,6-dipyridin-2-ylquinoline;4,6-dichloro-5-fluoro-3-methyl-2-pyridin-2-ylquinoline;4,6-dichloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;2,4,6-trichloro-5-fluoro-3-methylquinoline;2,4,6-trichloro-7-fluoro-3-methylquinoline is sourced from PubChem (CID 158164548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).