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

C7H11BrN2O — CID 130621063

IUPAC5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=C(Br)CN(C(N)=O)CC1
InChIInChI=1S/C7H11BrN2O/c1-5-2-3-10(7(9)11)4-6(5)8/h2-4H2,1H3,(H2,9,11)
InChIKeyQXICNTBOCIMIGM-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.44
Rot. Bonds

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

5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 130621063) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID130621063
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=C(Br)CN(C(N)=O)CC1
InChIInChI=1S/C7H11BrN2O/c1-5-2-3-10(7(9)11)4-6(5)8/h2-4H2,1H3,(H2,9,11)
InChIKeyQXICNTBOCIMIGM-UHFFFAOYSA-N
XLogP1.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 130621063) is 5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=C(Br)CN(C(N)=O)CC1.
What is the InChIKey of 5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is QXICNTBOCIMIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-5-2-3-10(7(9)11)4-6(5)8/h2-4H2,1H3,(H2,9,11).
What are the key properties of 5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 219.08 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 130621063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).