3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile

C14H11Cl2N3 — CID 55025705

IUPAC3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3/c1-19(14-13(16)6-12(15)8-18-14)9-11-4-2-3-10(5-11)7-17/h2-6,8H,9H2,1H3
InChIKeyUYLOXZJTRGZPTE-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.90
Rot. Bonds3

About 3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile

3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile (PubChem CID 55025705) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile
PubChem CID55025705
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3/c1-19(14-13(16)6-12(15)8-18-14)9-11-4-2-3-10(5-11)7-17/h2-6,8H,9H2,1H3
InChIKeyUYLOXZJTRGZPTE-UHFFFAOYSA-N
XLogP3.90
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 63728710
3-[[(6-chloropyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 55141171
N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
CID 60875712
5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 51135200
5-amino-2-[(3-cyanophenyl)methyl-methylamino]pyridine-3-carboxamide
CID 62983154
3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 55152648
3-[[methyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80823780
3-[[4-(bromomethyl)-2-chloro-N-methylanilino]methyl]benzonitrile
CID 107083014
3-[(2-amino-5-chloro-N-methylanilino)methyl]benzonitrile
CID 115468933
3-[[(5-fluoro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 62968970
3-[[(6-acetyl-3-pyridinyl)-methylamino]methyl]benzonitrile
CID 83119462
3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 62968974

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile (CID 55025705) is 3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile is CN(Cc1cccc(C#N)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile?
The InChIKey is UYLOXZJTRGZPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-19(14-13(16)6-12(15)8-18-14)9-11-4-2-3-10(5-11)7-17/h2-6,8H,9H2,1H3.
What are the key properties of 3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile?
3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile has a molecular weight of 292.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile is sourced from PubChem (CID 55025705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).