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

C15H14BrN3 — CID 133373673

IUPAC4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile
SMILESCc1cc(Br)cnc1N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H14BrN3/c1-11-7-14(16)9-18-15(11)19(2)10-13-5-3-12(8-17)4-6-13/h3-7,9H,10H2,1-2H3
InChIKeyVUOYDXUJHDDYIS-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.66
Rot. Bonds3

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

4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile (PubChem CID 133373673) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile
PubChem CID133373673
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile
SMILESCc1cc(Br)cnc1N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H14BrN3/c1-11-7-14(16)9-18-15(11)19(2)10-13-5-3-12(8-17)4-6-13/h3-7,9H,10H2,1-2H3
InChIKeyVUOYDXUJHDDYIS-UHFFFAOYSA-N
XLogP3.66
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
6-[benzyl(methyl)amino]-5-methylpyridine-3-carbonitrile
CID 102544753
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148613
5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148609
6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde
CID 80636625
5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine
CID 115148671
4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile
CID 133489486
5-bromo-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]pyridine-3-carbonitrile
CID 155976166
5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 133290964
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
CID 79712553
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile?
The IUPAC name of 4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile (CID 133373673) is 4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile is Cc1cc(Br)cnc1N(C)Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile?
The InChIKey is VUOYDXUJHDDYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-11-7-14(16)9-18-15(11)19(2)10-13-5-3-12(8-17)4-6-13/h3-7,9H,10H2,1-2H3.
What are the key properties of 4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile?
4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile has a molecular weight of 316.20 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile is sourced from PubChem (CID 133373673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).