2-chloro-4,6-dimethyl(213C,115N)pyridine

C7H8ClN — CID 130416231

IUPAC2-chloro-4,6-dimethyl(213C,115N)pyridine
SMILESCc1cc(C)[15n][13c](Cl)c1
InChIInChI=1S/C7H8ClN/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3/i7+1,9+1
InChIKeyCOVGXNSRDOYAJD-VEJAREIZSA-N
MW143.59 g/mol
LogP2.35
Rot. Bonds

About 2-chloro-4,6-dimethyl(213C,115N)pyridine

2-chloro-4,6-dimethyl(213C,115N)pyridine (PubChem CID 130416231) has the molecular formula C7H8ClN and a molecular weight of 143.59 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl(213C,115N)pyridine.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl(213C,115N)pyridine
PubChem CID130416231
Molecular FormulaC7H8ClN
Molecular Weight143.59 g/mol
Exact Mass143.03
IUPAC Name2-chloro-4,6-dimethyl(213C,115N)pyridine
SMILESCc1cc(C)[15n][13c](Cl)c1
InChIInChI=1S/C7H8ClN/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3/i7+1,9+1
InChIKeyCOVGXNSRDOYAJD-VEJAREIZSA-N
XLogP2.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.59
LogP ≤ 52.35
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-4,6-dimethyl(213C,115N)pyridine?
The IUPAC name of 2-chloro-4,6-dimethyl(213C,115N)pyridine (CID 130416231) is 2-chloro-4,6-dimethyl(213C,115N)pyridine.
What is the SMILES notation for 2-chloro-4,6-dimethyl(213C,115N)pyridine?
The canonical SMILES for 2-chloro-4,6-dimethyl(213C,115N)pyridine is Cc1cc(C)[15n][13c](Cl)c1.
What is the InChIKey of 2-chloro-4,6-dimethyl(213C,115N)pyridine?
The InChIKey is COVGXNSRDOYAJD-VEJAREIZSA-N. The full InChI is InChI=1S/C7H8ClN/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3/i7+1,9+1.
What are the key properties of 2-chloro-4,6-dimethyl(213C,115N)pyridine?
2-chloro-4,6-dimethyl(213C,115N)pyridine has a molecular weight of 143.59 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl(213C,115N)pyridine is sourced from PubChem (CID 130416231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).