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

C7H10ClN — CID 66971380

IUPAC6-chloro-1,4-dimethyl-2H-pyridine
SMILESCC1=CCN(C)C(Cl)=C1
InChIInChI=1S/C7H10ClN/c1-6-3-4-9(2)7(8)5-6/h3,5H,4H2,1-2H3
InChIKeyKTSAPMFNIBTRFG-UHFFFAOYSA-N
MW143.62 g/mol
LogP1.96
Rot. Bonds

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

6-chloro-1,4-dimethyl-2H-pyridine (PubChem CID 66971380) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 6-chloro-1,4-dimethyl-2H-pyridine.

Molecular Properties

Compound Name6-chloro-1,4-dimethyl-2H-pyridine
PubChem CID66971380
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name6-chloro-1,4-dimethyl-2H-pyridine
SMILESCC1=CCN(C)C(Cl)=C1
InChIInChI=1S/C7H10ClN/c1-6-3-4-9(2)7(8)5-6/h3,5H,4H2,1-2H3
InChIKeyKTSAPMFNIBTRFG-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 51.96
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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Related Compounds

1,4-Dimethyl-1,2-dihydropyridine
CID 13496664
6-fluoro-1,4-dimethyl-2H-pyridine
CID 146384609
6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine
CID 146392793
6-Chloro-4-methyl-1,2-dihydropyridine
CID 19045911
6-chloro-1,1-dimethyl-2H-pyridin-1-ium
CID 21693517
6-chloro-1-methyl-2H-pyridine
CID 22446108
3-chloro-1,5-dimethyl-2H-pyridine
CID 56622130
1,4-dimethyl-2H-pyridine;hydrochloride
CID 66971379
6-chloro-4-ethenyl-1-methyl-2H-pyridine
CID 70173252
4-ethenyl-1-methyl-2H-pyridine;hydrochloride
CID 70186069
3-ethenyl-1-methyl-2H-pyridine;hydrochloride
CID 70397234
6-chloro-5-ethenyl-1-methyl-2H-pyridine
CID 70397235

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,4-dimethyl-2H-pyridine?
The IUPAC name of 6-chloro-1,4-dimethyl-2H-pyridine (CID 66971380) is 6-chloro-1,4-dimethyl-2H-pyridine.
What is the SMILES notation for 6-chloro-1,4-dimethyl-2H-pyridine?
The canonical SMILES for 6-chloro-1,4-dimethyl-2H-pyridine is CC1=CCN(C)C(Cl)=C1.
What is the InChIKey of 6-chloro-1,4-dimethyl-2H-pyridine?
The InChIKey is KTSAPMFNIBTRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-6-3-4-9(2)7(8)5-6/h3,5H,4H2,1-2H3.
What are the key properties of 6-chloro-1,4-dimethyl-2H-pyridine?
6-chloro-1,4-dimethyl-2H-pyridine has a molecular weight of 143.62 g/mol, XLogP of 1.96, 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 is sourced from PubChem (CID 66971380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).