2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile

C9H9F3N4O — CID 118990941

IUPAC2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(N)ncc(CN)c1OC(F)(F)F
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)17-7-5(3-14)4-16-8(15)6(7)1-2-13/h4H,1,3,14H2,(H2,15,16)
InChIKeyLVELUTLWTCZAHF-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.09
Rot. Bonds3

About 2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile

2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile (PubChem CID 118990941) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
PubChem CID118990941
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1c(N)ncc(CN)c1OC(F)(F)F
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)17-7-5(3-14)4-16-8(15)6(7)1-2-13/h4H,1,3,14H2,(H2,15,16)
InChIKeyLVELUTLWTCZAHF-UHFFFAOYSA-N
XLogP1.09
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-amino-4-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118999485
2-[3-amino-5-(aminomethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133085802
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
2-[5-(aminomethyl)-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134663767
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023642
2-[2-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118853894
4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118818085
2-[5-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134671786
2-[4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118807259
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803257
3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 119005601

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile (CID 118990941) is 2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile is N#CCc1c(N)ncc(CN)c1OC(F)(F)F.
What is the InChIKey of 2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The InChIKey is LVELUTLWTCZAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)17-7-5(3-14)4-16-8(15)6(7)1-2-13/h4H,1,3,14H2,(H2,15,16).
What are the key properties of 2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile has a molecular weight of 246.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118990941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).