5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile

C8H5BrF3N3O — CID 131463632

IUPAC5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)c(CN)c1OC(F)(F)F
InChIInChI=1S/C8H5BrF3N3O/c9-7-5(2-14)6(16-8(10,11)12)4(1-13)3-15-7/h3H,2,14H2
InChIKeyJQJIMONGGVJIOT-UHFFFAOYSA-N
MW296.05 g/mol
LogP2.07
Rot. Bonds2

About 5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile

5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131463632) has the molecular formula C8H5BrF3N3O and a molecular weight of 296.05 g/mol. Its IUPAC name is 5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131463632
Molecular FormulaC8H5BrF3N3O
Molecular Weight296.05 g/mol
Exact Mass294.96
IUPAC Name5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(Br)c(CN)c1OC(F)(F)F
InChIInChI=1S/C8H5BrF3N3O/c9-7-5(2-14)6(16-8(10,11)12)4(1-13)3-15-7/h3H,2,14H2
InChIKeyJQJIMONGGVJIOT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279573
2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118998425
[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093650
2-[2-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990969
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279556
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778
5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131600848
2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131411382
2-[4-amino-5-cyano-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812212

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131463632) is 5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cnc(Br)c(CN)c1OC(F)(F)F.
What is the InChIKey of 5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is JQJIMONGGVJIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3O/c9-7-5(2-14)6(16-8(10,11)12)4(1-13)3-15-7/h3H,2,14H2.
What are the key properties of 5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-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 5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131463632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).