2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile

C9H9F3N4O — CID 119014512

IUPAC2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(OC(F)(F)F)c(CN)nc1N
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)17-7-3-5(1-2-13)8(15)16-6(7)4-14/h3H,1,4,14H2,(H2,15,16)
InChIKeyDOFZBPWDCDPIOQ-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.09
Rot. Bonds3

About 2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile

2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile (PubChem CID 119014512) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
PubChem CID119014512
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(OC(F)(F)F)c(CN)nc1N
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)17-7-3-5(1-2-13)8(15)16-6(7)4-14/h3H,1,4,14H2,(H2,15,16)
InChIKeyDOFZBPWDCDPIOQ-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-3-(aminomethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118996718
2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119025293
2-[3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667935
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118836861
6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118994523
2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134666110
6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023621
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119005302
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
methyl 2-[6-amino-2-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086081
2-[5-(fluoromethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682687

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile (CID 119014512) is 2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile is N#CCc1cc(OC(F)(F)F)c(CN)nc1N.
What is the InChIKey of 2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The InChIKey is DOFZBPWDCDPIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)17-7-3-5(1-2-13)8(15)16-6(7)4-14/h3H,1,4,14H2,(H2,15,16).
What are the key properties of 2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
2-[2-amino-6-(aminomethyl)-5-(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-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119014512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).