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

C8H5BrF3N3O — CID 131411382

IUPAC2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(Br)nc(CN)c1OC(F)(F)F
InChIInChI=1S/C8H5BrF3N3O/c9-6-1-4(2-13)7(5(3-14)15-6)16-8(10,11)12/h1H,3,14H2
InChIKeySUUQAFDCNOSFLC-UHFFFAOYSA-N
MW296.05 g/mol
LogP2.07
Rot. Bonds2

About 2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile

2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 131411382) has the molecular formula C8H5BrF3N3O and a molecular weight of 296.05 g/mol. Its IUPAC name is 2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID131411382
Molecular FormulaC8H5BrF3N3O
Molecular Weight296.05 g/mol
Exact Mass294.96
IUPAC Name2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(Br)nc(CN)c1OC(F)(F)F
InChIInChI=1S/C8H5BrF3N3O/c9-6-1-4(2-13)7(5(3-14)15-6)16-8(10,11)12/h1H,3,14H2
InChIKeySUUQAFDCNOSFLC-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

6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118814478
2-(bromomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118843950
[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825745
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632
2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119024165
2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119022260
[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571679
6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131492432
6-bromo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096300
2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)pyridin-4-amine
CID 118824129
4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279573
2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118999882

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile (CID 131411382) is 2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1cc(Br)nc(CN)c1OC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is SUUQAFDCNOSFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3O/c9-6-1-4(2-13)7(5(3-14)15-6)16-8(10,11)12/h1H,3,14H2.
What are the key properties of 2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile?
2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-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 2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 131411382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).