3-methylpyridine;4-methylpyridine

C12H14N2 — CID 21425791

IUPAC3-methylpyridine;4-methylpyridine
SMILESCc1cccnc1.Cc1ccncc1
InChIInChI=1S/2C6H7N/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6/h2*2-5H,1H3
InChIKeySVSQGEGDCXDOOC-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.78
Rot. Bonds

About 3-methylpyridine;4-methylpyridine

3-methylpyridine;4-methylpyridine (PubChem CID 21425791) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-methylpyridine;4-methylpyridine.

Molecular Properties

Compound Name3-methylpyridine;4-methylpyridine
PubChem CID21425791
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3-methylpyridine;4-methylpyridine
SMILESCc1cccnc1.Cc1ccncc1
InChIInChI=1S/2C6H7N/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6/h2*2-5H,1H3
InChIKeySVSQGEGDCXDOOC-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpyridine;4-methylpyridine?
The IUPAC name of 3-methylpyridine;4-methylpyridine (CID 21425791) is 3-methylpyridine;4-methylpyridine.
What is the SMILES notation for 3-methylpyridine;4-methylpyridine?
The canonical SMILES for 3-methylpyridine;4-methylpyridine is Cc1cccnc1.Cc1ccncc1.
What is the InChIKey of 3-methylpyridine;4-methylpyridine?
The InChIKey is SVSQGEGDCXDOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6/h2*2-5H,1H3.
What are the key properties of 3-methylpyridine;4-methylpyridine?
3-methylpyridine;4-methylpyridine has a molecular weight of 186.26 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyridine;4-methylpyridine is sourced from PubChem (CID 21425791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).