3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile

C10H12BrN3 — CID 104531758

IUPAC3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile
SMILESCC(CC#N)N(C)c1cncc(Br)c1
InChIInChI=1S/C10H12BrN3/c1-8(3-4-12)14(2)10-5-9(11)6-13-7-10/h5-8H,3H2,1-2H3
InChIKeyXJIDPXLPHCIPMY-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.58
Rot. Bonds3

About 3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile

3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile (PubChem CID 104531758) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile
PubChem CID104531758
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile
SMILESCC(CC#N)N(C)c1cncc(Br)c1
InChIInChI=1S/C10H12BrN3/c1-8(3-4-12)14(2)10-5-9(11)6-13-7-10/h5-8H,3H2,1-2H3
InChIKeyXJIDPXLPHCIPMY-UHFFFAOYSA-N
XLogP2.58
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyridin-3-amine
CID 115657240
5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine
CID 115657067
3-[(3-amino-5-bromo-2-pyridinyl)-methylamino]butanenitrile
CID 63225630
3-[(3-bromo-4-pyridinyl)-methylamino]butanenitrile
CID 104776572
5-bromo-N-propan-2-yl-N-propylpyridin-3-amine
CID 104531552
3-(N,4-dimethylanilino)butanenitrile
CID 82111722
3-(2-amino-5-bromo-N-methylanilino)butanenitrile
CID 65342249
3-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]butanenitrile
CID 82970578
3-(2-bromo-N-methylanilino)butanenitrile
CID 82119794
5-bromo-N-(1-cyclobutylethyl)-N-methylpyridin-3-amine
CID 130719560
(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
CID 171259817
3-[4-[(1S)-1-aminoethyl]-N-methylanilino]butanenitrile
CID 63369284

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile (CID 104531758) is 3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile is CC(CC#N)N(C)c1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile?
The InChIKey is XJIDPXLPHCIPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-8(3-4-12)14(2)10-5-9(11)6-13-7-10/h5-8H,3H2,1-2H3.
What are the key properties of 3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile?
3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile has a molecular weight of 254.13 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)-methylamino]butanenitrile is sourced from PubChem (CID 104531758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).