3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile

C10H9BrF3N3 — CID 106795797

IUPAC3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile
SMILESCN(CCC#N)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H9BrF3N3/c1-17(4-2-3-15)9-8(10(12,13)14)5-7(11)6-16-9/h5-6H,2,4H2,1H3
InChIKeyFLKWWZUZUIRJIE-UHFFFAOYSA-N
MW308.10 g/mol
LogP3.21
Rot. Bonds3

About 3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile

3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile (PubChem CID 106795797) has the molecular formula C10H9BrF3N3 and a molecular weight of 308.10 g/mol. Its IUPAC name is 3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile
PubChem CID106795797
Molecular FormulaC10H9BrF3N3
Molecular Weight308.10 g/mol
Exact Mass306.99
IUPAC Name3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile
SMILESCN(CCC#N)c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H9BrF3N3/c1-17(4-2-3-15)9-8(10(12,13)14)5-7(11)6-16-9/h5-6H,2,4H2,1H3
InChIKeyFLKWWZUZUIRJIE-UHFFFAOYSA-N
XLogP3.21
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 106796746
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 106797206
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796664
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]butanethioamide
CID 106795818
6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80632148
N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine
CID 106795791
3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile
CID 133370502
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]propanenitrile
CID 54992825
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 106796748
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796576
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80753514
6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 143050629

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile?
The IUPAC name of 3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile (CID 106795797) is 3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile.
What is the SMILES notation for 3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile?
The canonical SMILES for 3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile is CN(CCC#N)c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile?
The InChIKey is FLKWWZUZUIRJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3/c1-17(4-2-3-15)9-8(10(12,13)14)5-7(11)6-16-9/h5-6H,2,4H2,1H3.
What are the key properties of 3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile?
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile has a molecular weight of 308.10 g/mol, XLogP of 3.21, 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-(trifluoromethyl)-2-pyridinyl]-methylamino]propanenitrile is sourced from PubChem (CID 106795797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).