6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile

C8H5BrF3N3O — CID 118814478

IUPAC6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(Br)c(OC(F)(F)F)c(CN)n1
InChIInChI=1S/C8H5BrF3N3O/c9-5-1-4(2-13)15-6(3-14)7(5)16-8(10,11)12/h1H,3,14H2
InChIKeySXGQMQSEXVTBIL-UHFFFAOYSA-N
MW296.05 g/mol
LogP2.07
Rot. Bonds2

About 6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile

6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 118814478) has the molecular formula C8H5BrF3N3O and a molecular weight of 296.05 g/mol. Its IUPAC name is 6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID118814478
Molecular FormulaC8H5BrF3N3O
Molecular Weight296.05 g/mol
Exact Mass294.96
IUPAC Name6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(Br)c(OC(F)(F)F)c(CN)n1
InChIInChI=1S/C8H5BrF3N3O/c9-5-1-4(2-13)15-6(3-14)7(5)16-8(10,11)12/h1H,3,14H2
InChIKeySXGQMQSEXVTBIL-UHFFFAOYSA-N
XLogP2.07
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.05
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825745
2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131411382
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
6-bromo-4-fluoro-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118997727
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118826916
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119016947
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521300
5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279482
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632
4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118806171
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline
CID 131397954
2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile (CID 118814478) is 6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1cc(Br)c(OC(F)(F)F)c(CN)n1.
What is the InChIKey of 6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is SXGQMQSEXVTBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3O/c9-5-1-4(2-13)15-6(3-14)7(5)16-8(10,11)12/h1H,3,14H2.
What are the key properties of 6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile?
6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 296.05 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 118814478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).