5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

C13H8F3N3O — CID 133086769

IUPAC5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)20-11-4-2-1-3-10(11)12-8(6-17)5-9(18)7-19-12/h1-5,7H,18H2
InChIKeyVXZUWKRNTPQLCM-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.10
Rot. Bonds2

About 5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile

5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 133086769) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID133086769
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)20-11-4-2-1-3-10(11)12-8(6-17)5-9(18)7-19-12/h1-5,7H,18H2
InChIKeyVXZUWKRNTPQLCM-UHFFFAOYSA-N
XLogP3.10
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133086807
5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
CID 60922508
5-amino-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 133086771
5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 134629098
2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 11391442
2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134628099
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 134629833
3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 119025158
5-nitro-2-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 171663241
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
3,5-difluoro-4-[2-(trifluoromethoxy)phenyl]aniline
CID 89422799

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile (CID 133086769) is 5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is N#Cc1cc(N)cnc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is VXZUWKRNTPQLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)20-11-4-2-1-3-10(11)12-8(6-17)5-9(18)7-19-12/h1-5,7H,18H2.
What are the key properties of 5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile?
5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 279.22 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 133086769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).