2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene

C25H29N3 — CID 157092955

IUPAC2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
SMILESCc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/C7H8.3C6H7N/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2-6H,1H3;3*2-5H,1H3
InChIKeyAEWMMDHFNLTJNX-UHFFFAOYSA-N
MW371.53 g/mol
LogP6.17
Rot. Bonds

About 2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene

2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene (PubChem CID 157092955) has the molecular formula C25H29N3 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene.

Molecular Properties

Compound Name2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
PubChem CID157092955
Molecular FormulaC25H29N3
Molecular Weight371.53 g/mol
Exact Mass371.24
IUPAC Name2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
SMILESCc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/C7H8.3C6H7N/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2-6H,1H3;3*2-5H,1H3
InChIKeyAEWMMDHFNLTJNX-UHFFFAOYSA-N
XLogP6.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 158312228
ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 160922898
3-methylpyridine;4-methylpyridine
CID 21425791
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
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
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;pyridine
CID 19753594
ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine
CID 167693533
3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene
CID 159849865
ethane;2-methylpyridine;toluene
CID 143164268

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene?
The IUPAC name of 2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene (CID 157092955) is 2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene.
What is the SMILES notation for 2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene?
The canonical SMILES for 2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene is Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.
What is the InChIKey of 2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene?
The InChIKey is AEWMMDHFNLTJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.3C6H7N/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2-6H,1H3;3*2-5H,1H3.
What are the key properties of 2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene?
2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene has a molecular weight of 371.53 g/mol, XLogP of 6.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene is sourced from PubChem (CID 157092955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).