2,3-dichloro-5-methyl-2,3-dihydropyridine

C6H7Cl2N — CID 90751600

IUPAC2,3-dichloro-5-methyl-2,3-dihydropyridine
SMILESCC1=CC(Cl)C(Cl)N=C1
InChIInChI=1S/C6H7Cl2N/c1-4-2-5(7)6(8)9-3-4/h2-3,5-6H,1H3
InChIKeyBWHLFXMTOBGLOZ-UHFFFAOYSA-N
MW164.03 g/mol
LogP2.19
Rot. Bonds

About 2,3-dichloro-5-methyl-2,3-dihydropyridine

2,3-dichloro-5-methyl-2,3-dihydropyridine (PubChem CID 90751600) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is 2,3-dichloro-5-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2,3-dichloro-5-methyl-2,3-dihydropyridine
PubChem CID90751600
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name2,3-dichloro-5-methyl-2,3-dihydropyridine
SMILESCC1=CC(Cl)C(Cl)N=C1
InChIInChI=1S/C6H7Cl2N/c1-4-2-5(7)6(8)9-3-4/h2-3,5-6H,1H3
InChIKeyBWHLFXMTOBGLOZ-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 52.19
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

2-Chloro-3-fluoro-5-methyl-2,3-dihydropyridine
CID 89289661
2,3-Dichloro-5-(trifluoromethyl)-2,3-dihydropyridine
CID 154525659
3-Chloro-3-chloromethylpyridine hydrochloride
CID 23035063
(3R)-2-chloro-3,5-dimethyl-2,3-dihydropyridine
CID 68202899
2-Chloro-5-(chloromethyl)-2,3-dihydropyridine
CID 89265388
2-Chloro-5-(trichloromethyl)-2,3-dihydropyridine
CID 89339087
3-Chloro-4-methyl-2,3-dihydropyridine
CID 89891674
2-Chloro-5-methyl-2,3-dihydropyridine
CID 124007981
3,5-Dichloro-2,3-dihydropyridine
CID 130183556
2,3-dichloro-3-(chloromethyl)-2H-pyridine
CID 141739963
3-Chloro-2,5-dimethyl-2,3-dihydropyridine
CID 143864822
(3S)-5-(chloromethyl)-3-methyl-2,3-dihydropyridine
CID 145606001

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-methyl-2,3-dihydropyridine?
The IUPAC name of 2,3-dichloro-5-methyl-2,3-dihydropyridine (CID 90751600) is 2,3-dichloro-5-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2,3-dichloro-5-methyl-2,3-dihydropyridine?
The canonical SMILES for 2,3-dichloro-5-methyl-2,3-dihydropyridine is CC1=CC(Cl)C(Cl)N=C1.
What is the InChIKey of 2,3-dichloro-5-methyl-2,3-dihydropyridine?
The InChIKey is BWHLFXMTOBGLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N/c1-4-2-5(7)6(8)9-3-4/h2-3,5-6H,1H3.
What are the key properties of 2,3-dichloro-5-methyl-2,3-dihydropyridine?
2,3-dichloro-5-methyl-2,3-dihydropyridine has a molecular weight of 164.03 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-methyl-2,3-dihydropyridine is sourced from PubChem (CID 90751600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).