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

C8H5F4N3O — CID 118836746

IUPAC2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(CN)ncc(OC(F)(F)F)c1F
InChIInChI=1S/C8H5F4N3O/c9-7-4(1-13)5(2-14)15-3-6(7)16-8(10,11)12/h3H,2,14H2
InChIKeyGYXYUIFJYFNCKK-UHFFFAOYSA-N
MW235.14 g/mol
LogP1.45
Rot. Bonds2

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

2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 118836746) has the molecular formula C8H5F4N3O and a molecular weight of 235.14 g/mol. Its IUPAC name is 2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID118836746
Molecular FormulaC8H5F4N3O
Molecular Weight235.14 g/mol
Exact Mass235.04
IUPAC Name2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(CN)ncc(OC(F)(F)F)c1F
InChIInChI=1S/C8H5F4N3O/c9-7-4(1-13)5(2-14)15-3-6(7)16-8(10,11)12/h3H,2,14H2
InChIKeyGYXYUIFJYFNCKK-UHFFFAOYSA-N
XLogP1.45
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
2-[4-amino-3-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118810865
2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133095290
[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094304
[3-bromo-4-chloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 131527147
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803257
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
[3-(difluoromethyl)-4-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118853765
2-(aminomethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118825651
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091860

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile (CID 118836746) is 2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c(CN)ncc(OC(F)(F)F)c1F.
What is the InChIKey of 2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is GYXYUIFJYFNCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4N3O/c9-7-4(1-13)5(2-14)15-3-6(7)16-8(10,11)12/h3H,2,14H2.
What are the key properties of 2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile?
2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 235.14 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 118836746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).