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

C14H10F3N3 — CID 134629149

IUPAC2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(N)cnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N3/c15-14(16,17)12-4-2-1-3-11(12)13-9(5-6-18)7-10(19)8-20-13/h1-4,7-8H,5,19H2
InChIKeyYRSHINDHVHYTGM-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.42
Rot. Bonds2

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

2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile (PubChem CID 134629149) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
PubChem CID134629149
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(N)cnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N3/c15-14(16,17)12-4-2-1-3-11(12)13-9(5-6-18)7-10(19)8-20-13/h1-4,7-8H,5,19H2
InChIKeyYRSHINDHVHYTGM-UHFFFAOYSA-N
XLogP3.42
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 134629150
2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133086807
2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 130663375
2-[5-amino-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623963
2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134630807
2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624057
2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119024029
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118823023
2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134628875
2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 134628859
2-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118996851

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile (CID 134629149) is 2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile is N#CCc1cc(N)cnc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
The InChIKey is YRSHINDHVHYTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)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-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile has a molecular weight of 277.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile is sourced from PubChem (CID 134629149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).