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

C14H12BrN3 — CID 62894511

IUPAC3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCc1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3/c15-13-5-3-11(4-6-13)9-17-10-12-2-1-7-18-14(12)8-16/h1-7,17H,9-10H2
InChIKeyWJVCSMNNEMUURR-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.01
Rot. Bonds4

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

3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62894511) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile
PubChem CID62894511
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCc1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3/c15-13-5-3-11(4-6-13)9-17-10-12-2-1-7-18-14(12)8-16/h1-7,17H,9-10H2
InChIKeyWJVCSMNNEMUURR-UHFFFAOYSA-N
XLogP3.01
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893550
3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921272
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
CID 62895390
3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894370
3-[(3-methylbut-2-enylamino)methyl]pyridine-2-carbonitrile
CID 106188268
3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile
CID 55127965
3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile
CID 107317244
3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62893857
3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
CID 121231605
3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895527
3-[(2-methylsulfonylethylamino)methyl]pyridine-2-carbonitrile
CID 62894530

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile (CID 62894511) is 3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNCc1ccc(Br)cc1.
What is the InChIKey of 3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is WJVCSMNNEMUURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c15-13-5-3-11(4-6-13)9-17-10-12-2-1-7-18-14(12)8-16/h1-7,17H,9-10H2.
What are the key properties of 3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile?
3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 302.18 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).