2-methyl-2-phenyl-1H-pyridine

C12H13N — CID 70293185

IUPAC2-methyl-2-phenyl-1H-pyridine
SMILESCC1(c2ccccc2)C=CC=CN1
InChIInChI=1S/C12H13N/c1-12(9-5-6-10-13-12)11-7-3-2-4-8-11/h2-10,13H,1H3
InChIKeyZMIQADRTBMQIDS-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.57
Rot. Bonds1

About 2-methyl-2-phenyl-1H-pyridine

2-methyl-2-phenyl-1H-pyridine (PubChem CID 70293185) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-2-phenyl-1H-pyridine.

Molecular Properties

Compound Name2-methyl-2-phenyl-1H-pyridine
PubChem CID70293185
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2-methyl-2-phenyl-1H-pyridine
SMILESCC1(c2ccccc2)C=CC=CN1
InChIInChI=1S/C12H13N/c1-12(9-5-6-10-13-12)11-7-3-2-4-8-11/h2-10,13H,1H3
InChIKeyZMIQADRTBMQIDS-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-1H-pyridine?
The IUPAC name of 2-methyl-2-phenyl-1H-pyridine (CID 70293185) is 2-methyl-2-phenyl-1H-pyridine.
What is the SMILES notation for 2-methyl-2-phenyl-1H-pyridine?
The canonical SMILES for 2-methyl-2-phenyl-1H-pyridine is CC1(c2ccccc2)C=CC=CN1.
What is the InChIKey of 2-methyl-2-phenyl-1H-pyridine?
The InChIKey is ZMIQADRTBMQIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-12(9-5-6-10-13-12)11-7-3-2-4-8-11/h2-10,13H,1H3.
What are the key properties of 2-methyl-2-phenyl-1H-pyridine?
2-methyl-2-phenyl-1H-pyridine has a molecular weight of 171.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-1H-pyridine is sourced from PubChem (CID 70293185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).