2,6-dichloro-1,3-dimethyl-2H-pyridine

C7H9Cl2N — CID 146384765

IUPAC2,6-dichloro-1,3-dimethyl-2H-pyridine
SMILESCC1=CC=C(Cl)N(C)C1Cl
InChIInChI=1S/C7H9Cl2N/c1-5-3-4-6(8)10(2)7(5)9/h3-4,7H,1-2H3
InChIKeyYINVCYWQQKQOBG-UHFFFAOYSA-N
MW178.06 g/mol
LogP2.52
Rot. Bonds

About 2,6-dichloro-1,3-dimethyl-2H-pyridine

2,6-dichloro-1,3-dimethyl-2H-pyridine (PubChem CID 146384765) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is 2,6-dichloro-1,3-dimethyl-2H-pyridine.

Molecular Properties

Compound Name2,6-dichloro-1,3-dimethyl-2H-pyridine
PubChem CID146384765
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC Name2,6-dichloro-1,3-dimethyl-2H-pyridine
SMILESCC1=CC=C(Cl)N(C)C1Cl
InChIInChI=1S/C7H9Cl2N/c1-5-3-4-6(8)10(2)7(5)9/h3-4,7H,1-2H3
InChIKeyYINVCYWQQKQOBG-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine
CID 146392793
2,4-dichloro-1,3,6-trimethyl-2H-pyridine
CID 22890213
2-chloro-1-methyl-2H-pyridine;hydrochloride
CID 140993367
1-chloro-3-(chloromethyl)-2H-pyridine
CID 142758152
2-chloro-3-ethenyl-1-methyl-2H-pyridine
CID 153804161
2-chloro-3-methyl-1-prop-2-enyl-2H-pyridine
CID 174504705

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1,3-dimethyl-2H-pyridine?
The IUPAC name of 2,6-dichloro-1,3-dimethyl-2H-pyridine (CID 146384765) is 2,6-dichloro-1,3-dimethyl-2H-pyridine.
What is the SMILES notation for 2,6-dichloro-1,3-dimethyl-2H-pyridine?
The canonical SMILES for 2,6-dichloro-1,3-dimethyl-2H-pyridine is CC1=CC=C(Cl)N(C)C1Cl.
What is the InChIKey of 2,6-dichloro-1,3-dimethyl-2H-pyridine?
The InChIKey is YINVCYWQQKQOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N/c1-5-3-4-6(8)10(2)7(5)9/h3-4,7H,1-2H3.
What are the key properties of 2,6-dichloro-1,3-dimethyl-2H-pyridine?
2,6-dichloro-1,3-dimethyl-2H-pyridine has a molecular weight of 178.06 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1,3-dimethyl-2H-pyridine is sourced from PubChem (CID 146384765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).