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

C10H8F5N3O — CID 134682962

IUPAC2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(CN)c(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C10H8F5N3O/c11-8(12)7-5(1-2-16)3-6(4-17)9(18-7)19-10(13,14)15/h3,8H,1,4,17H2
InChIKeyGNOSPHJSXYDNCL-UHFFFAOYSA-N
MW281.18 g/mol
LogP2.44
Rot. Bonds4

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

2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile (PubChem CID 134682962) has the molecular formula C10H8F5N3O and a molecular weight of 281.18 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
PubChem CID134682962
Molecular FormulaC10H8F5N3O
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(CN)c(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C10H8F5N3O/c11-8(12)7-5(1-2-16)3-6(4-17)9(18-7)19-10(13,14)15/h3,8H,1,4,17H2
InChIKeyGNOSPHJSXYDNCL-UHFFFAOYSA-N
XLogP2.44
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670121
2-[5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 165342409
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 130081614
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134666110
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133098420
2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134671444
methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134683021
2-[2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803852
2-[2-(difluoromethyl)-6-fluoro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118854439

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile (CID 134682962) is 2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile is N#CCc1cc(CN)c(OC(F)(F)F)nc1C(F)F.
What is the InChIKey of 2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
The InChIKey is GNOSPHJSXYDNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N3O/c11-8(12)7-5(1-2-16)3-6(4-17)9(18-7)19-10(13,14)15/h3,8H,1,4,17H2.
What are the key properties of 2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile?
2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile has a molecular weight of 281.18 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 134682962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).