3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile

C11H14BrN3 — CID 115898860

IUPAC3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile
SMILESCc1cc(N(C)CC(C)C#N)ncc1Br
InChIInChI=1S/C11H14BrN3/c1-8(5-13)7-15(3)11-4-9(2)10(12)6-14-11/h4,6,8H,7H2,1-3H3
InChIKeyYWZDAORNBUPCTM-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.75
Rot. Bonds3

About 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile

3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile (PubChem CID 115898860) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile
PubChem CID115898860
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile
SMILESCc1cc(N(C)CC(C)C#N)ncc1Br
InChIInChI=1S/C11H14BrN3/c1-8(5-13)7-15(3)11-4-9(2)10(12)6-14-11/h4,6,8H,7H2,1-3H3
InChIKeyYWZDAORNBUPCTM-UHFFFAOYSA-N
XLogP2.75
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile (CID 115898860) is 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile is Cc1cc(N(C)CC(C)C#N)ncc1Br.
What is the InChIKey of 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile?
The InChIKey is YWZDAORNBUPCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-8(5-13)7-15(3)11-4-9(2)10(12)6-14-11/h4,6,8H,7H2,1-3H3.
What are the key properties of 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile?
3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile has a molecular weight of 268.16 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115898860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).