1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine

C40H41N3 — CID 161038141

IUPAC1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine
SMILESCc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/2C11H10.3C6H7N/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2*2-8H,1H3;3*2-5H,1H3
InChIKeyUANGDLGWORFYGS-UHFFFAOYSA-N
MW563.79 g/mol
LogP10.47
Rot. Bonds

About 1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine

1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine (PubChem CID 161038141) has the molecular formula C40H41N3 and a molecular weight of 563.79 g/mol. Its IUPAC name is 1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine.

Molecular Properties

Compound Name1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine
PubChem CID161038141
Molecular FormulaC40H41N3
Molecular Weight563.79 g/mol
Exact Mass563.33
IUPAC Name1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine
SMILESCc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/2C11H10.3C6H7N/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2*2-8H,1H3;3*2-5H,1H3
InChIKeyUANGDLGWORFYGS-UHFFFAOYSA-N
XLogP10.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.79
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 157092955
1-fluoro-4-methylbenzene;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene;trimethyl-(4-methylphenyl)silane
CID 159529298
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CID 158446087
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;5-methylquinoline;bis(6-methylquinoline);bis(7-methylquinoline);8-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 160949105
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
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6-methylisoquinoline;5-methylquinoline
CID 154664232
2,6-dimethylanthracene;9,10-dimethylanthracene;1,5-dimethylnaphthalene;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;ethane
CID 163573009
3-methylpyridine;4-methylpyridine
CID 21425791
methane;2-methyl-4,6-diphenyl-1,3,5-triazine;3-methylisoquinoline;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylpyrazine;2-methyl-6-phenylpyridine;4-methyl-2-phenylpyridine;4-methyl-2-phenylpyrimidine;3-methyl-4-phenylquinoline;2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);2-methylquinoline;3-methylquinoline;toluene
CID 162096265
bis(2,3-dimethylthiophene);ethane;methane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 159609173
2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-naphthalen-1-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-methyl-6-naphthalen-2-yl-1,3,5-triazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline
CID 159799811

Frequently Asked Questions

What is the IUPAC name of 1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The IUPAC name of 1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine (CID 161038141) is 1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine.
What is the SMILES notation for 1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The canonical SMILES for 1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine is Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.
What is the InChIKey of 1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine?
The InChIKey is UANGDLGWORFYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10.3C6H7N/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2*2-8H,1H3;3*2-5H,1H3.
What are the key properties of 1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine?
1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine has a molecular weight of 563.79 g/mol, XLogP of 10.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine is sourced from PubChem (CID 161038141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).