(6-chloro-4-methyl-2-pyridinyl)chloranium

C6H6Cl2N+ — CID 148805472

IUPAC(6-chloro-4-methyl-2-pyridinyl)chloranium
SMILESCc1cc(Cl)nc([ClH+])c1
InChIInChI=1S/C6H6Cl2N/c1-4-2-5(7)9-6(8)3-4/h2-3,7H,1H3/q+1
InChIKeyOOWHRZSFBDAQAP-UHFFFAOYSA-N
MW163.03 g/mol
LogP1.74
Rot. Bonds

About (6-chloro-4-methyl-2-pyridinyl)chloranium

(6-chloro-4-methyl-2-pyridinyl)chloranium (PubChem CID 148805472) has the molecular formula C6H6Cl2N+ and a molecular weight of 163.03 g/mol. Its IUPAC name is (6-chloro-4-methyl-2-pyridinyl)chloranium.

Molecular Properties

Compound Name(6-chloro-4-methyl-2-pyridinyl)chloranium
PubChem CID148805472
Molecular FormulaC6H6Cl2N+
Molecular Weight163.03 g/mol
Exact Mass161.99
IUPAC Name(6-chloro-4-methyl-2-pyridinyl)chloranium
SMILESCc1cc(Cl)nc([ClH+])c1
InChIInChI=1S/C6H6Cl2N/c1-4-2-5(7)9-6(8)3-4/h2-3,7H,1H3/q+1
InChIKeyOOWHRZSFBDAQAP-UHFFFAOYSA-N
XLogP1.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.03
LogP ≤ 51.74
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 (6-chloro-4-methyl-2-pyridinyl)chloranium?
The IUPAC name of (6-chloro-4-methyl-2-pyridinyl)chloranium (CID 148805472) is (6-chloro-4-methyl-2-pyridinyl)chloranium.
What is the SMILES notation for (6-chloro-4-methyl-2-pyridinyl)chloranium?
The canonical SMILES for (6-chloro-4-methyl-2-pyridinyl)chloranium is Cc1cc(Cl)nc([ClH+])c1.
What is the InChIKey of (6-chloro-4-methyl-2-pyridinyl)chloranium?
The InChIKey is OOWHRZSFBDAQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N/c1-4-2-5(7)9-6(8)3-4/h2-3,7H,1H3/q+1.
What are the key properties of (6-chloro-4-methyl-2-pyridinyl)chloranium?
(6-chloro-4-methyl-2-pyridinyl)chloranium has a molecular weight of 163.03 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-methyl-2-pyridinyl)chloranium is sourced from PubChem (CID 148805472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).