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

C8H5BrF3N3O — CID 131464640

IUPAC5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(CN)cnc(OC(F)(F)F)c1Br
InChIInChI=1S/C8H5BrF3N3O/c9-6-5(2-14)4(1-13)3-15-7(6)16-8(10,11)12/h3H,1,13H2
InChIKeyITWOGAIADHJZJW-UHFFFAOYSA-N
MW296.05 g/mol
LogP2.07
Rot. Bonds2

About 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile

5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 131464640) has the molecular formula C8H5BrF3N3O and a molecular weight of 296.05 g/mol. Its IUPAC name is 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID131464640
Molecular FormulaC8H5BrF3N3O
Molecular Weight296.05 g/mol
Exact Mass294.96
IUPAC Name5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(CN)cnc(OC(F)(F)F)c1Br
InChIInChI=1S/C8H5BrF3N3O/c9-6-5(2-14)4(1-13)3-15-7(6)16-8(10,11)12/h3H,1,13H2
InChIKeyITWOGAIADHJZJW-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

[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
2-[5-(aminomethyl)-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134663767
4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095491
4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175
2-[4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118807259
2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134667296
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112708
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile (CID 131464640) is 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1c(CN)cnc(OC(F)(F)F)c1Br.
What is the InChIKey of 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is ITWOGAIADHJZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3O/c9-6-5(2-14)4(1-13)3-15-7(6)16-8(10,11)12/h3H,1,13H2.
What are the key properties of 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile?
5-(aminomethyl)-3-bromo-2-(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 5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 131464640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).