3-methyl-5-phenylpyridine

C12H11N — CID 598136

IUPAC3-methyl-5-phenylpyridine
SMILESCc1cncc(-c2ccccc2)c1
InChIInChI=1S/C12H11N/c1-10-7-12(9-13-8-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyVPFKZMSXKPTQJG-UHFFFAOYSA-N
MW169.23 g/mol
LogP3.06
Rot. Bonds1

About 3-methyl-5-phenylpyridine

3-methyl-5-phenylpyridine (PubChem CID 598136) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methyl-5-phenylpyridine.

Molecular Properties

Compound Name3-methyl-5-phenylpyridine
PubChem CID598136
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name3-methyl-5-phenylpyridine
SMILESCc1cncc(-c2ccccc2)c1
InChIInChI=1S/C12H11N/c1-10-7-12(9-13-8-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyVPFKZMSXKPTQJG-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89594
Paraquat dichloride
CID 15938
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CID 5282443
Anabasine
CID 205586
3-Methylpyridine
CID 7970
(+-)-Dimethindene
CID 21855
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pheniramine
CID 4761
4-Vinylpyridine
CID 7502
(+-)-Anabasine
CID 2181
Paraquat
CID 15939

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenylpyridine?
The IUPAC name of 3-methyl-5-phenylpyridine (CID 598136) is 3-methyl-5-phenylpyridine.
What is the SMILES notation for 3-methyl-5-phenylpyridine?
The canonical SMILES for 3-methyl-5-phenylpyridine is Cc1cncc(-c2ccccc2)c1.
What is the InChIKey of 3-methyl-5-phenylpyridine?
The InChIKey is VPFKZMSXKPTQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-10-7-12(9-13-8-10)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 3-methyl-5-phenylpyridine?
3-methyl-5-phenylpyridine has a molecular weight of 169.23 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenylpyridine is sourced from PubChem (CID 598136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).