2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile

C14H10F3N3 — CID 134618427

IUPAC2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)11-3-1-2-10(8-11)12-9(4-6-18)5-7-20-13(12)19/h1-3,5,7-8H,4H2,(H2,19,20)
InChIKeyBXFQNPAFELSEHB-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.42
Rot. Bonds2

About 2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile

2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile (PubChem CID 134618427) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
PubChem CID134618427
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(N)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)11-3-1-2-10(8-11)12-9(4-6-18)5-7-20-13(12)19/h1-3,5,7-8H,4H2,(H2,19,20)
InChIKeyBXFQNPAFELSEHB-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

2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119009018
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 119001070
2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870263
2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 133089773
4-(chloromethyl)-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 165342868
2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile
CID 133092012
2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134629064
2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetonitrile
CID 62929478
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
[2-amino-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134618432
3-amino-2-[3-(trifluoromethyl)phenyl]benzonitrile
CID 134630743
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile (CID 134618427) is 2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile is N#CCc1ccnc(N)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile?
The InChIKey is BXFQNPAFELSEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)11-3-1-2-10(8-11)12-9(4-6-18)5-7-20-13(12)19/h1-3,5,7-8H,4H2,(H2,19,20).
What are the key properties of 2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile?
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-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-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile is sourced from PubChem (CID 134618427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).