(2S)-1,2-dimethyl-2H-pyridine

C7H11N — CID 59864893

IUPAC(2S)-1,2-dimethyl-2H-pyridine
SMILESC[C@H]1C=CC=CN1C
InChIInChI=1S/C7H11N/c1-7-5-3-4-6-8(7)2/h3-7H,1-2H3/t7-/m0/s1
InChIKeyJTFKFVCGQRTWGL-ZETCQYMHSA-N
MW109.17 g/mol
LogP1.39
Rot. Bonds

About (2S)-1,2-dimethyl-2H-pyridine

(2S)-1,2-dimethyl-2H-pyridine (PubChem CID 59864893) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-2H-pyridine.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-2H-pyridine
PubChem CID59864893
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(2S)-1,2-dimethyl-2H-pyridine
SMILESC[C@H]1C=CC=CN1C
InChIInChI=1S/C7H11N/c1-7-5-3-4-6-8(7)2/h3-7H,1-2H3/t7-/m0/s1
InChIKeyJTFKFVCGQRTWGL-ZETCQYMHSA-N
XLogP1.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-2H-pyridine?
The IUPAC name of (2S)-1,2-dimethyl-2H-pyridine (CID 59864893) is (2S)-1,2-dimethyl-2H-pyridine.
What is the SMILES notation for (2S)-1,2-dimethyl-2H-pyridine?
The canonical SMILES for (2S)-1,2-dimethyl-2H-pyridine is C[C@H]1C=CC=CN1C.
What is the InChIKey of (2S)-1,2-dimethyl-2H-pyridine?
The InChIKey is JTFKFVCGQRTWGL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11N/c1-7-5-3-4-6-8(7)2/h3-7H,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-2H-pyridine?
(2S)-1,2-dimethyl-2H-pyridine has a molecular weight of 109.17 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-2H-pyridine is sourced from PubChem (CID 59864893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).