3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile

C14H12BrN3 — CID 102815403

IUPAC3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
SMILESCN(Cc1ccccn1)c1cc(Br)cc(C#N)c1
InChIInChI=1S/C14H12BrN3/c1-18(10-13-4-2-3-5-17-13)14-7-11(9-16)6-12(15)8-14/h2-8H,10H2,1H3
InChIKeyCTDBIUWZQCMVLN-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.35
Rot. Bonds3

About 3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile

3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile (PubChem CID 102815403) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
PubChem CID102815403
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
SMILESCN(Cc1ccccn1)c1cc(Br)cc(C#N)c1
InChIInChI=1S/C14H12BrN3/c1-18(10-13-4-2-3-5-17-13)14-7-11(9-16)6-12(15)8-14/h2-8H,10H2,1H3
InChIKeyCTDBIUWZQCMVLN-UHFFFAOYSA-N
XLogP3.35
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692
N-methyl-2-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 62282399
3-bromo-5-[methyl(2-methylprop-2-enyl)amino]benzonitrile
CID 102817429
3-bromo-5-[methyl(2-methylsulfanylethyl)amino]benzonitrile
CID 102817172
5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
CID 55233709
3-bromo-5-(N,2-dimethylanilino)benzonitrile
CID 102816101
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 114061506
3-bromo-5-[2-ethoxyethyl(methyl)amino]benzonitrile
CID 102816943
3-[(4-hydrazinyl-2-pyridinyl)methyl-methylamino]benzonitrile
CID 79260472
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
3-bromo-5-(N-pyridin-3-ylanilino)benzonitrile
CID 69192997
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile?
The IUPAC name of 3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile (CID 102815403) is 3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile?
The canonical SMILES for 3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile is CN(Cc1ccccn1)c1cc(Br)cc(C#N)c1.
What is the InChIKey of 3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile?
The InChIKey is CTDBIUWZQCMVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-18(10-13-4-2-3-5-17-13)14-7-11(9-16)6-12(15)8-14/h2-8H,10H2,1H3.
What are the key properties of 3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile?
3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile has a molecular weight of 302.18 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[methyl(pyridin-2-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 102815403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).