2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol

C26H33N3O2 — CID 157088006

IUPAC2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1oc(C)c(CO)c1C
InChIInChI=1S/C8H12O2.3C6H7N/c1-5-6(2)10-7(3)8(5)4-9;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h9H,4H2,1-3H3;3*2-5H,1H3
InChIKeyAEHWPUDBOKLNBS-UHFFFAOYSA-N
MW419.57 g/mol
LogP5.87
Rot. Bonds1

About 2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol

2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 157088006) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID157088006
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1oc(C)c(CO)c1C
InChIInChI=1S/C8H12O2.3C6H7N/c1-5-6(2)10-7(3)8(5)4-9;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h9H,4H2,1-3H3;3*2-5H,1H3
InChIKeyAEHWPUDBOKLNBS-UHFFFAOYSA-N
XLogP5.87
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 157092955
ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 158312228
3-methylpyridine;4-methylpyridine
CID 21425791
ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 160922898
ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine
CID 167693533
bis(2,3-dimethylthiophene);ethane;methane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 159609173
ethane;3-methylpyridazine;2-methylpyridine;3-methylpyridine;toluene
CID 158912509
1-methylnaphthalene;2-methylnaphthalene;2-methylpyridine;3-methylpyridine;4-methylpyridine
CID 161038141
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 157122549
2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);5-methylpyrimidine;bis(2-methyl-1,3,5-triazine);toluene
CID 158554373
bis(2-methylpyridine);bis(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);bis(4-methylpyrimidine);bis(5-methylpyrimidine);bis(2-methyl-1,3,5-triazine);toluene
CID 159589616
ethane;3-methylpyridine;4-methylpyridine;4-methylpyrimidine
CID 145078126

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of 2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol (CID 157088006) is 2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for 2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for 2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol is Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1oc(C)c(CO)c1C.
What is the InChIKey of 2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is AEHWPUDBOKLNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.3C6H7N/c1-5-6(2)10-7(3)8(5)4-9;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h9H,4H2,1-3H3;3*2-5H,1H3.
What are the key properties of 2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol?
2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol has a molecular weight of 419.57 g/mol, XLogP of 5.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine;3-methylpyridine;4-methylpyridine;(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 157088006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).