3-chloro-2,5-dimethyl-2,3-dihydropyridine

C7H10ClN — CID 143864822

IUPAC3-chloro-2,5-dimethyl-2,3-dihydropyridine
SMILESCC1=CC(Cl)C(C)N=C1
InChIInChI=1S/C7H10ClN/c1-5-3-7(8)6(2)9-4-5/h3-4,6-7H,1-2H3
InChIKeySKFRSLPSGTZWHQ-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.01
Rot. Bonds

About 3-chloro-2,5-dimethyl-2,3-dihydropyridine

3-chloro-2,5-dimethyl-2,3-dihydropyridine (PubChem CID 143864822) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 3-chloro-2,5-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3-chloro-2,5-dimethyl-2,3-dihydropyridine
PubChem CID143864822
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name3-chloro-2,5-dimethyl-2,3-dihydropyridine
SMILESCC1=CC(Cl)C(C)N=C1
InChIInChI=1S/C7H10ClN/c1-5-3-7(8)6(2)9-4-5/h3-4,6-7H,1-2H3
InChIKeySKFRSLPSGTZWHQ-UHFFFAOYSA-N
XLogP2.01
TPSA12.36 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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-2,5-dimethyl-2,3-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-3-fluoro-5-methyl-2,3-dihydropyridine
CID 89289661
3-Chloro-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 126635718
(2E)-N-tert-butyl-5-chloro-2-ethylidenepentan-1-imine
CID 11030873
(2E)-5-chloro-2-ethylidene-N-propan-2-ylpentan-1-imine
CID 21627254
2-(Chloromethyl)-2,3-dihydropyridine
CID 19374825
2,5-Dimethyl-2,3-dihydropyridine
CID 20872587
2-(2-Chloroethyl)-4-methyl-2,3-dihydropyridine
CID 53790419
(2S)-3-chloro-2-methyl-2,3-dihydropyridine
CID 67991645
(3R)-2-chloro-3,5-dimethyl-2,3-dihydropyridine
CID 68202899
(2S)-2,5-dimethyl-2,3-dihydropyridine
CID 70326462
2-Chloro-5-(chloromethyl)-2,3-dihydropyridine
CID 89265388
2-Chloro-5-ethenyl-2,3-dihydropyridine
CID 89361625

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethyl-2,3-dihydropyridine?
The IUPAC name of 3-chloro-2,5-dimethyl-2,3-dihydropyridine (CID 143864822) is 3-chloro-2,5-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 3-chloro-2,5-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 3-chloro-2,5-dimethyl-2,3-dihydropyridine is CC1=CC(Cl)C(C)N=C1.
What is the InChIKey of 3-chloro-2,5-dimethyl-2,3-dihydropyridine?
The InChIKey is SKFRSLPSGTZWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-5-3-7(8)6(2)9-4-5/h3-4,6-7H,1-2H3.
What are the key properties of 3-chloro-2,5-dimethyl-2,3-dihydropyridine?
3-chloro-2,5-dimethyl-2,3-dihydropyridine has a molecular weight of 143.62 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 143864822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).