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

C71H73N9 — CID 160574393

IUPAC2-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
SMILESCc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccccn2)nc1.Cc1ccc(-c2cccnc2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C)nc1.Cc1ccc2cccnc2c1.Cc1ccc2ccncc2c1
InChIInChI=1S/C12H11N.2C11H10N2.2C10H9N.C10H15N.C7H9N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-9-4-5-11(13-7-9)10-3-2-6-12-8-10;1-9-5-6-11(13-8-9)10-4-2-3-7-12-10;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-5-6-9(11-7-8)10(2,3)4;1-6-3-4-7(2)8-5-6/h2-9H,1H3;2*2-8H,1H3;2*2-7H,1H3;5-7H,1-4H3;3-5H,1-2H3
InChIKeyRAYOFCZKODHUQN-UHFFFAOYSA-N
MW1052.43 g/mol
LogP17.43
Rot. Bonds3

About 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

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 (PubChem CID 160574393) has the molecular formula C71H73N9 and a molecular weight of 1052.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID160574393
Molecular FormulaC71H73N9
Molecular Weight1052.43 g/mol
Exact Mass1051.60
IUPAC Name2-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
SMILESCc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccccn2)nc1.Cc1ccc(-c2cccnc2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C)nc1.Cc1ccc2cccnc2c1.Cc1ccc2ccncc2c1
InChIInChI=1S/C12H11N.2C11H10N2.2C10H9N.C10H15N.C7H9N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-9-4-5-11(13-7-9)10-3-2-6-12-8-10;1-9-5-6-11(13-8-9)10-4-2-3-7-12-10;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-5-6-9(11-7-8)10(2,3)4;1-6-3-4-7(2)8-5-6/h2-9H,1H3;2*2-8H,1H3;2*2-7H,1H3;5-7H,1-4H3;3-5H,1-2H3
InChIKeyRAYOFCZKODHUQN-UHFFFAOYSA-N
XLogP17.43
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.43
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene
CID 158347101
2-tert-butyl-5-methylpyridine;2,5-dimethylpyridine;5-methyl-2-naphthalen-2-ylpyridine;5-methyl-2-phenylpyridine;1-methylphthalazine;5-methylphthalazine
CID 162184955
methane;2-methylnaphthalene;1-methyl-4-phenylbenzene;7-methylquinoline;toluene;bis(1,4-xylene)
CID 158321851
ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 101019648
3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
CID 163657036
2,2-dimethylpropane;5-methyl-2-phenylpyridine
CID 143955006
N-[4-[3-[4-(4-carbazol-9-yl-N-isoquinolin-7-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-carbazol-9-ylphenyl)isoquinolin-7-amine;N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-6-phenylpyridin-3-amine;N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-(6-pyridin-2-yl-3-pyridinyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-6-pyridin-2-ylpyridin-3-amine;N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-(6-pyridin-3-yl-3-pyridinyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-6-pyridin-3-ylpyridin-3-amine;N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-(6-pyridin-4-yl-3-pyridinyl)anilino)phenyl]quinoxalin-2-yl]phenyl]-6-pyridin-4-ylpyridin-3-amine;N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(4-carbazol-9-yl-N-quinolin-7-ylanilino)phenyl]quinoxalin-2-yl]phenyl]quinolin-7-amine
CID 162155862
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
2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)
CID 172795269
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccccn2)nc1.Cc1ccc(-c2cccnc2)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C)nc1.Cc1ccc2cccnc2c1.Cc1ccc2ccncc2c1.
What is the InChIKey of 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?
The InChIKey is RAYOFCZKODHUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.2C11H10N2.2C10H9N.C10H15N.C7H9N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-9-4-5-11(13-7-9)10-3-2-6-12-8-10;1-9-5-6-11(13-8-9)10-4-2-3-7-12-10;1-8-2-3-9-4-5-11-7-10(9)6-8;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-5-6-9(11-7-8)10(2,3)4;1-6-3-4-7(2)8-5-6/h2-9H,1H3;2*2-8H,1H3;2*2-7H,1H3;5-7H,1-4H3;3-5H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1052.43 g/mol, XLogP of 17.43, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160574393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).