2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C73H79ClFN9O2 — CID 159727366

About 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 159727366) has the molecular formula C73H79ClFN9O2 and a molecular weight of 1168.95 g/mol. Its IUPAC name is 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
• PubChem CID: 159727366
• Molecular Formula: C73H79ClFN9O2
• Molecular Weight: 1168.95 g/mol
• Exact Mass: 1167.60
• IUPAC Name: 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
• SMILES: C.C.C.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2n1
• InChI: InChI=1S/C12H9N.C11H9Cl.C11H9F.2C9H10N2O.C9H12N2.C9H8N2.3CH4/c1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;2*1-7-4-5-8-3-2-6-10-9(8)11-7;;;/h2-7H,1H3;2*2-7H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3;3*1H4
• InChIKey: NAUOIDZOQWLDFD-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 169.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.95
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The IUPAC name of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 159727366) is 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

What is the SMILES notation for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The canonical SMILES for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is C.C.C.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cccnc2n1.

What is the InChIKey of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The InChIKey is NAUOIDZOQWLDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C11H9Cl.C11H9F.2C9H10N2O.C9H12N2.C9H8N2.3CH4/c1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;2*1-7-4-5-8-3-2-6-10-9(8)11-7;;;/h2-7H,1H3;2*2-7H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3;3*1H4.

What are the key properties of 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 1168.95 g/mol, XLogP of 17.99, 0 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;3-methylnaphthalene-2-carbonitrile;2-methyl-1,8-naphthyridine;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 159727366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).