methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide

C8H14BrNO2 — CID 9301

IUPACmethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide
SMILESBr.COC(=O)C1=CCCN(C)C1
InChIInChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H
InChIKeyAXOJRQLKMVSHHZ-UHFFFAOYSA-N
MW236.11 g/mol
LogP1.00
Rot. Bonds1

About methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide

methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide (PubChem CID 9301) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide.

Molecular Properties

Compound Namemethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide
PubChem CID9301
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Namemethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide
SMILESBr.COC(=O)C1=CCCN(C)C1
InChIInChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H
InChIKeyAXOJRQLKMVSHHZ-UHFFFAOYSA-N
XLogP1.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide?
The IUPAC name of methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide (CID 9301) is methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide.
What is the SMILES notation for methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide?
The canonical SMILES for methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide is Br.COC(=O)C1=CCCN(C)C1.
What is the InChIKey of methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide?
The InChIKey is AXOJRQLKMVSHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H.
What are the key properties of methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide?
methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide has a molecular weight of 236.11 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide is sourced from PubChem (CID 9301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).