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

C8H6F3N3O — CID 130091860

IUPAC5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncc(CN)cc1OC(F)(F)F
InChIInChI=1S/C8H6F3N3O/c9-8(10,11)15-7-1-5(2-12)4-14-6(7)3-13/h1,4H,2,12H2
InChIKeyWLYYFJQCKBZSFT-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.31
Rot. Bonds2

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

5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 130091860) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID130091860
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncc(CN)cc1OC(F)(F)F
InChIInChI=1S/C8H6F3N3O/c9-8(10,11)15-7-1-5(2-12)4-14-6(7)3-13/h1,4H,2,12H2
InChIKeyWLYYFJQCKBZSFT-UHFFFAOYSA-N
XLogP1.31
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118834504
2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118836746
3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131393888
5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131312179
2-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095709
5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096333
2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133094812
4-(aminomethyl)-3-(trifluoromethoxy)benzonitrile
CID 46912351
6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119012441
4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118818085
4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118834947
5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile (CID 130091860) is 5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1ncc(CN)cc1OC(F)(F)F.
What is the InChIKey of 5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is WLYYFJQCKBZSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c9-8(10,11)15-7-1-5(2-12)4-14-6(7)3-13/h1,4H,2,12H2.
What are the key properties of 5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 217.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 130091860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).