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

C8H14BrNO2 — CID 91973784

IUPAChydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide
SMILESCOC(=O)C1=CCCN(C)C1.[Br-].[H+]
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
LogP-2.46
Rot. Bonds1

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

hydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide (PubChem CID 91973784) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is hydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide.

Molecular Properties

Compound Namehydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide
PubChem CID91973784
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Namehydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide
SMILESCOC(=O)C1=CCCN(C)C1.[Br-].[H+]
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
XLogP-2.46
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 ≤ 5-2.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide?
The IUPAC name of hydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide (CID 91973784) is hydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide.
What is the SMILES notation for hydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide?
The canonical SMILES for hydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide is COC(=O)C1=CCCN(C)C1.[Br-].[H+].
What is the InChIKey of hydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide?
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 hydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide?
hydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide has a molecular weight of 236.11 g/mol, XLogP of -2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;bromide is sourced from PubChem (CID 91973784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).