2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine

C12H10ClN — CID 164803143

IUPAC2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(Cl)cc2C)c([2H])c1[2H]
InChIInChI=1S/C12H10ClN/c1-9-7-12(13)14-8-11(9)10-5-3-2-4-6-10/h2-8H,1H3/i2D,3D,4D,5D,6D
InChIKeyHGGBRNDIABCGNR-VIQYUKPQSA-N
MW208.70 g/mol
LogP3.71
Rot. Bonds1

About 2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine

2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine (PubChem CID 164803143) has the molecular formula C12H10ClN and a molecular weight of 208.70 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine
PubChem CID164803143
Molecular FormulaC12H10ClN
Molecular Weight208.70 g/mol
Exact Mass208.08
IUPAC Name2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine
SMILES[2H]c1c([2H])c([2H])c(-c2cnc(Cl)cc2C)c([2H])c1[2H]
InChIInChI=1S/C12H10ClN/c1-9-7-12(13)14-8-11(9)10-5-3-2-4-6-10/h2-8H,1H3/i2D,3D,4D,5D,6D
InChIKeyHGGBRNDIABCGNR-VIQYUKPQSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.70
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine?
The IUPAC name of 2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine (CID 164803143) is 2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine.
What is the SMILES notation for 2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine?
The canonical SMILES for 2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine is [2H]c1c([2H])c([2H])c(-c2cnc(Cl)cc2C)c([2H])c1[2H].
What is the InChIKey of 2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine?
The InChIKey is HGGBRNDIABCGNR-VIQYUKPQSA-N. The full InChI is InChI=1S/C12H10ClN/c1-9-7-12(13)14-8-11(9)10-5-3-2-4-6-10/h2-8H,1H3/i2D,3D,4D,5D,6D.
What are the key properties of 2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine?
2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine has a molecular weight of 208.70 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)pyridine is sourced from PubChem (CID 164803143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).