2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine

C83H83N15 — CID 158297472

IUPAC2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine
SMILESCc1ccc(-c2ccccc2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C)nc1.Cc1cccc2cnncc12.Cc1cccc2nnccc12.Cc1ccnc2ncccc12.Cc1cnc2ncccc2c1.Cc1cnnc2ccccc12.Cc1nncc2ccccc12
InChIInChI=1S/C12H11N.C10H15N.6C9H8N2.C7H9N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-8-5-6-9(11-7-8)10(2,3)4;1-7-4-6-11-9-8(7)3-2-5-10-9;1-7-5-8-3-2-4-10-9(8)11-6-7;1-7-3-2-4-8-5-10-11-6-9(7)8;1-7-3-2-4-9-8(7)5-6-10-11-9;1-7-9-5-3-2-4-8(9)6-10-11-7;1-7-6-10-11-9-5-3-2-4-8(7)9;1-6-3-4-7(2)8-5-6/h2-9H,1H3;5-7H,1-4H3;6*2-6H,1H3;3-5H,1-2H3
InChIKeyGMBWYESLDPRBNC-UHFFFAOYSA-N
MW1290.68 g/mol
LogP19.07
Rot. Bonds1

About 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine

2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine (PubChem CID 158297472) has the molecular formula C83H83N15 and a molecular weight of 1290.68 g/mol. Its IUPAC name is 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine.

Molecular Properties

Compound Name2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine
PubChem CID158297472
Molecular FormulaC83H83N15
Molecular Weight1290.68 g/mol
Exact Mass1289.70
IUPAC Name2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine
SMILESCc1ccc(-c2ccccc2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C)nc1.Cc1cccc2cnncc12.Cc1cccc2nnccc12.Cc1ccnc2ncccc12.Cc1cnc2ncccc2c1.Cc1cnnc2ccccc12.Cc1nncc2ccccc12
InChIInChI=1S/C12H11N.C10H15N.6C9H8N2.C7H9N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-8-5-6-9(11-7-8)10(2,3)4;1-7-4-6-11-9-8(7)3-2-5-10-9;1-7-5-8-3-2-4-10-9(8)11-6-7;1-7-3-2-4-8-5-10-11-6-9(7)8;1-7-3-2-4-9-8(7)5-6-10-11-9;1-7-9-5-3-2-4-8(9)6-10-11-7;1-7-6-10-11-9-5-3-2-4-8(7)9;1-6-3-4-7(2)8-5-6/h2-9H,1H3;5-7H,1-4H3;6*2-6H,1H3;3-5H,1-2H3
InChIKeyGMBWYESLDPRBNC-UHFFFAOYSA-N
XLogP19.07
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds1
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001290.68
LogP ≤ 519.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine with MolForge

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Related Compounds

2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine
CID 162184955
2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;7-methylisoquinoline;5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methyl-2-pyridin-3-ylpyridine;7-methylquinoline
CID 160574393
ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline
CID 158608912
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;8-methylquinoline
CID 159034817
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819
5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene
CID 158347101
4-methylisoquinoline;5-methylisoquinoline;1-methylnaphthalene;bis(2-methylnaphthalene);bis(4-methylquinoline);5-methylquinoline;bis(6-methylquinoline)
CID 157141713
2,2-dimethylpropane;5-methyl-2-phenylpyridine
CID 143955006
ethane;3-methyl-1,8-naphthyridine
CID 90816561
5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline
CID 167585846
ethane;4-methylphenanthridine;7-methylphenanthridine;8-methylphenanthridine;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161402197
6-methyl-2-phenyl-1,8-naphthyridine
CID 24814869

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine?
The IUPAC name of 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine (CID 158297472) is 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine.
What is the SMILES notation for 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine?
The canonical SMILES for 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine is Cc1ccc(-c2ccccc2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C)nc1.Cc1cccc2cnncc12.Cc1cccc2nnccc12.Cc1ccnc2ncccc12.Cc1cnc2ncccc2c1.Cc1cnnc2ccccc12.Cc1nncc2ccccc12.
What is the InChIKey of 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine?
The InChIKey is GMBWYESLDPRBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C10H15N.6C9H8N2.C7H9N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-8-5-6-9(11-7-8)10(2,3)4;1-7-4-6-11-9-8(7)3-2-5-10-9;1-7-5-8-3-2-4-10-9(8)11-6-7;1-7-3-2-4-8-5-10-11-6-9(7)8;1-7-3-2-4-9-8(7)5-6-10-11-9;1-7-9-5-3-2-4-8(9)6-10-11-7;1-7-6-10-11-9-5-3-2-4-8(7)9;1-6-3-4-7(2)8-5-6/h2-9H,1H3;5-7H,1-4H3;6*2-6H,1H3;3-5H,1-2H3.
What are the key properties of 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine?
2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine has a molecular weight of 1290.68 g/mol, XLogP of 19.07, 1 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;4-methylcinnoline;5-methylcinnoline;3-methyl-1,8-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine is sourced from PubChem (CID 158297472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).