6-(chloromethyl)-3-methyl-2,3-dihydropyridine

C7H10ClN — CID 91208172

IUPAC6-(chloromethyl)-3-methyl-2,3-dihydropyridine
SMILESCC1C=CC(CCl)=NC1
InChIInChI=1S/C7H10ClN/c1-6-2-3-7(4-8)9-5-6/h2-3,6H,4-5H2,1H3
InChIKeyXPEMDCVRTKVCEF-UHFFFAOYSA-N
MW143.62 g/mol
LogP1.87
Rot. Bonds1

About 6-(chloromethyl)-3-methyl-2,3-dihydropyridine

6-(chloromethyl)-3-methyl-2,3-dihydropyridine (PubChem CID 91208172) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 6-(chloromethyl)-3-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(chloromethyl)-3-methyl-2,3-dihydropyridine
PubChem CID91208172
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name6-(chloromethyl)-3-methyl-2,3-dihydropyridine
SMILESCC1C=CC(CCl)=NC1
InChIInChI=1S/C7H10ClN/c1-6-2-3-7(4-8)9-5-6/h2-3,6H,4-5H2,1H3
InChIKeyXPEMDCVRTKVCEF-UHFFFAOYSA-N
XLogP1.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen
CID 177244016
3-methyl-6-phenyl-2,3-dihydropyridine
CID 142097039
2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine
CID 163641813
(3-fluoro-2,3-dihydropyridin-6-yl)methanamine
CID 91464248
3-methyl-3,4-dihydro-2H-azepin-7-amine
CID 143009817
5-methyl-2-propan-2-yl-4,5-dihydropyrimidine
CID 138457030
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 142265231
6-benzyl-2,3-dihydropyridin-3-ol
CID 150749488
(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene
CID 130391076
(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
CID 142950049

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-methyl-2,3-dihydropyridine?
The IUPAC name of 6-(chloromethyl)-3-methyl-2,3-dihydropyridine (CID 91208172) is 6-(chloromethyl)-3-methyl-2,3-dihydropyridine.
What is the SMILES notation for 6-(chloromethyl)-3-methyl-2,3-dihydropyridine?
The canonical SMILES for 6-(chloromethyl)-3-methyl-2,3-dihydropyridine is CC1C=CC(CCl)=NC1.
What is the InChIKey of 6-(chloromethyl)-3-methyl-2,3-dihydropyridine?
The InChIKey is XPEMDCVRTKVCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-6-2-3-7(4-8)9-5-6/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-(chloromethyl)-3-methyl-2,3-dihydropyridine?
6-(chloromethyl)-3-methyl-2,3-dihydropyridine has a molecular weight of 143.62 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-methyl-2,3-dihydropyridine is sourced from PubChem (CID 91208172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).