4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine

C6H9Cl2N — CID 130737113

IUPAC4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC(Cl)=C(Cl)C1
InChIInChI=1S/C6H9Cl2N/c1-9-3-2-5(7)6(8)4-9/h2-4H2,1H3
InChIKeyIOESICAZDGJPSQ-UHFFFAOYSA-N
MW166.05 g/mol
LogP2.01
Rot. Bonds

About 4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine

4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 130737113) has the molecular formula C6H9Cl2N and a molecular weight of 166.05 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID130737113
Molecular FormulaC6H9Cl2N
Molecular Weight166.05 g/mol
Exact Mass165.01
IUPAC Name4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC(Cl)=C(Cl)C1
InChIInChI=1S/C6H9Cl2N/c1-9-3-2-5(7)6(8)4-9/h2-4H2,1H3
InChIKeyIOESICAZDGJPSQ-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.05
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline
CID 22980472
7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
CID 84666615
2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 82192182
5-chloro-8-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 84669129
2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 88883283
1-(4,5-dichloro-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone
CID 130612875
1,5-dimethyl-3,6-dihydro-2H-pyridin-4-amine;ethane
CID 170725640
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
5-chloro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 162779153
4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridine;ethane
CID 145316380
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
2-chloro-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136982066

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine (CID 130737113) is 4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC(Cl)=C(Cl)C1.
What is the InChIKey of 4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is IOESICAZDGJPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2N/c1-9-3-2-5(7)6(8)4-9/h2-4H2,1H3.
What are the key properties of 4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine?
4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 166.05 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 4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130737113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).