2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile

C9H5F3N4O — CID 119024165

IUPAC2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#CCc1cc(C#N)c(OC(F)(F)F)c(N)n1
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)17-7-5(4-14)3-6(1-2-13)16-8(7)15/h3H,1H2,(H2,15,16)
InChIKeyUSMAZBBXPXQFAW-UHFFFAOYSA-N
MW242.16 g/mol
LogP1.50
Rot. Bonds2

About 2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile

2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 119024165) has the molecular formula C9H5F3N4O and a molecular weight of 242.16 g/mol. Its IUPAC name is 2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID119024165
Molecular FormulaC9H5F3N4O
Molecular Weight242.16 g/mol
Exact Mass242.04
IUPAC Name2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#CCc1cc(C#N)c(OC(F)(F)F)c(N)n1
InChIInChI=1S/C9H5F3N4O/c10-9(11,12)17-7-5(4-14)3-6(1-2-13)16-8(7)15/h3H,1H2,(H2,15,16)
InChIKeyUSMAZBBXPXQFAW-UHFFFAOYSA-N
XLogP1.50
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-fluoro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119022260
2-amino-6-nitro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119003073
6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118994523
methyl 6-amino-4-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096930
6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131492432
2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131411382
5-amino-6-(cyanomethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095331
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
2-[4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678124
2-[4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134682248
[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085817
2-[6-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094899

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile (CID 119024165) is 2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile is N#CCc1cc(C#N)c(OC(F)(F)F)c(N)n1.
What is the InChIKey of 2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is USMAZBBXPXQFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4O/c10-9(11,12)17-7-5(4-14)3-6(1-2-13)16-8(7)15/h3H,1H2,(H2,15,16).
What are the key properties of 2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 242.16 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyanomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 119024165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).