6-chloro-1,4-dimethyl-2H-pyridine;ethane

C9H16ClN — CID 145054930

IUPAC6-chloro-1,4-dimethyl-2H-pyridine;ethane
SMILESCC.CC1=CCN(C)C(Cl)=C1
InChIInChI=1S/C7H10ClN.C2H6/c1-6-3-4-9(2)7(8)5-6;1-2/h3,5H,4H2,1-2H3;1-2H3
InChIKeyREQKLQFJUSTROP-UHFFFAOYSA-N
MW173.69 g/mol
LogP2.98
Rot. Bonds

About 6-chloro-1,4-dimethyl-2H-pyridine;ethane

6-chloro-1,4-dimethyl-2H-pyridine;ethane (PubChem CID 145054930) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is 6-chloro-1,4-dimethyl-2H-pyridine;ethane.

Molecular Properties

Compound Name6-chloro-1,4-dimethyl-2H-pyridine;ethane
PubChem CID145054930
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name6-chloro-1,4-dimethyl-2H-pyridine;ethane
SMILESCC.CC1=CCN(C)C(Cl)=C1
InChIInChI=1S/C7H10ClN.C2H6/c1-6-3-4-9(2)7(8)5-6;1-2/h3,5H,4H2,1-2H3;1-2H3
InChIKeyREQKLQFJUSTROP-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,4-dimethyl-2H-pyridine;ethane?
The IUPAC name of 6-chloro-1,4-dimethyl-2H-pyridine;ethane (CID 145054930) is 6-chloro-1,4-dimethyl-2H-pyridine;ethane.
What is the SMILES notation for 6-chloro-1,4-dimethyl-2H-pyridine;ethane?
The canonical SMILES for 6-chloro-1,4-dimethyl-2H-pyridine;ethane is CC.CC1=CCN(C)C(Cl)=C1.
What is the InChIKey of 6-chloro-1,4-dimethyl-2H-pyridine;ethane?
The InChIKey is REQKLQFJUSTROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN.C2H6/c1-6-3-4-9(2)7(8)5-6;1-2/h3,5H,4H2,1-2H3;1-2H3.
What are the key properties of 6-chloro-1,4-dimethyl-2H-pyridine;ethane?
6-chloro-1,4-dimethyl-2H-pyridine;ethane has a molecular weight of 173.69 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,4-dimethyl-2H-pyridine;ethane is sourced from PubChem (CID 145054930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).