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

C14H10F3N3O — CID 133086807

IUPAC2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(N)cnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-12-4-2-1-3-11(12)13-9(5-6-18)7-10(19)8-20-13/h1-4,7-8H,5,19H2
InChIKeyLBPYTXNUKCDOTK-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.30
Rot. Bonds3

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

2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile (PubChem CID 133086807) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
PubChem CID133086807
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(N)cnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-12-4-2-1-3-11(12)13-9(5-6-18)7-10(19)8-20-13/h1-4,7-8H,5,19H2
InChIKeyLBPYTXNUKCDOTK-UHFFFAOYSA-N
XLogP3.30
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086769
2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134629149
5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 134629098
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 118822081
5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
CID 60922508
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089297
2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 130663375
2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094175
2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133093995
2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 11391442
2-[3-fluoro-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094183
2-[3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 130046963

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile (CID 133086807) is 2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile is N#CCc1cc(N)cnc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The InChIKey is LBPYTXNUKCDOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)21-12-4-2-1-3-11(12)13-9(5-6-18)7-10(19)8-20-13/h1-4,7-8H,5,19H2.
What are the key properties of 2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile has a molecular weight of 293.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133086807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).