3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile

C15H14BrN3 — CID 62921272

IUPAC3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccc(Br)cc1)Cc1cccnc1C#N
InChIInChI=1S/C15H14BrN3/c1-19(10-12-4-6-14(16)7-5-12)11-13-3-2-8-18-15(13)9-17/h2-8H,10-11H2,1H3
InChIKeyMPEHFUXGNXJNPZ-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.35
Rot. Bonds4

About 3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile

3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62921272) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
PubChem CID62921272
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccc(Br)cc1)Cc1cccnc1C#N
InChIInChI=1S/C15H14BrN3/c1-19(10-12-4-6-14(16)7-5-12)11-13-3-2-8-18-15(13)9-17/h2-8H,10-11H2,1H3
InChIKeyMPEHFUXGNXJNPZ-UHFFFAOYSA-N
XLogP3.35
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62895109
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921449
3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894511
3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile
CID 79381926
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 62921108
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62985541
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627
3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile
CID 115317894
3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62894133
3-[[(4-bromophenyl)methyl-methylamino]methyl]-4-fluorobenzonitrile
CID 18154389
3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
CID 121231605

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile (CID 62921272) is 3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile is CN(Cc1ccc(Br)cc1)Cc1cccnc1C#N.
What is the InChIKey of 3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is MPEHFUXGNXJNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-19(10-12-4-6-14(16)7-5-12)11-13-3-2-8-18-15(13)9-17/h2-8H,10-11H2,1H3.
What are the key properties of 3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 316.20 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62921272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).