6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one

C85H76ClF2N5O5 — CID 157268914

About 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one

6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 157268914) has the molecular formula C85H76ClF2N5O5 and a molecular weight of 1321.02 g/mol. Its IUPAC name is 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one
• PubChem CID: 157268914
• Molecular Formula: C85H76ClF2N5O5
• Molecular Weight: 1321.02 g/mol
• Exact Mass: 1319.55
• IUPAC Name: 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one
• SMILES: Cc1c(-c2ccnc(Cl)c2)ccc2c1CCCC2=O.Cc1c(-c2ccnc(F)c2)ccc2c1CCCC2=O.Cc1c(-c2cnc3ccccc3c2)ccc2c1CCCC2=O.Cc1c(-c2cncc(F)c2)ccc2c1CCCC2=O.Cc1cc(-c2ccc3c(c2C)CCCC3=O)ccn1
• InChI: InChI=1S/C20H17NO.C17H17NO.C16H14ClNO.2C16H14FNO/c1-13-16(9-10-18-17(13)6-4-8-20(18)22)15-11-14-5-2-3-7-19(14)21-12-15;1-11-10-13(8-9-18-11)14-6-7-16-15(12(14)2)4-3-5-17(16)19;1-10-12(11-7-8-18-16(17)9-11)5-6-14-13(10)3-2-4-15(14)19;1-10-13(11-7-12(17)9-18-8-11)5-6-15-14(10)3-2-4-16(15)19;1-10-12(11-7-8-18-16(17)9-11)5-6-14-13(10)3-2-4-15(14)19/h2-3,5,7,9-12H,4,6,8H2,1H3;6-10H,3-5H2,1-2H3;3*5-9H,2-4H2,1H3
• InChIKey: AYHRZDNVJFXHAR-UHFFFAOYSA-N
• XLogP: 20.27
• TPSA: 149.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1321.02
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one?

The IUPAC name of 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one (CID 157268914) is 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one.

What is the SMILES notation for 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one?

The canonical SMILES for 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one is Cc1c(-c2ccnc(Cl)c2)ccc2c1CCCC2=O.Cc1c(-c2ccnc(F)c2)ccc2c1CCCC2=O.Cc1c(-c2cnc3ccccc3c2)ccc2c1CCCC2=O.Cc1c(-c2cncc(F)c2)ccc2c1CCCC2=O.Cc1cc(-c2ccc3c(c2C)CCCC3=O)ccn1.

What is the InChIKey of 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one?

The InChIKey is AYHRZDNVJFXHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO.C17H17NO.C16H14ClNO.2C16H14FNO/c1-13-16(9-10-18-17(13)6-4-8-20(18)22)15-11-14-5-2-3-7-19(14)21-12-15;1-11-10-13(8-9-18-11)14-6-7-16-15(12(14)2)4-3-5-17(16)19;1-10-12(11-7-8-18-16(17)9-11)5-6-14-13(10)3-2-4-15(14)19;1-10-13(11-7-12(17)9-18-8-11)5-6-15-14(10)3-2-4-16(15)19;1-10-12(11-7-8-18-16(17)9-11)5-6-14-13(10)3-2-4-15(14)19/h2-3,5,7,9-12H,4,6,8H2,1H3;6-10H,3-5H2,1-2H3;3*5-9H,2-4H2,1H3.

What are the key properties of 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one?

6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 1321.02 g/mol, XLogP of 20.27, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(2-fluoro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-quinolin-3-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 157268914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).