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

C14H10F3N3O — CID 119009018

IUPAC2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(N)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-11-3-1-2-10(8-11)12-9(4-6-18)5-7-20-13(12)19/h1-3,5,7-8H,4H2,(H2,19,20)
InChIKeyJFELZJFPRNRLOK-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.30
Rot. Bonds3

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

2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile (PubChem CID 119009018) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
PubChem CID119009018
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(N)c1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-11-3-1-2-10(8-11)12-9(4-6-18)5-7-20-13(12)19/h1-3,5,7-8H,4H2,(H2,19,20)
InChIKeyJFELZJFPRNRLOK-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

2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
CID 134618427
2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 134627473
2-[2-methoxy-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094235
3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
CID 134621656
2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870263
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749
2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 133094891
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134625724
2,3-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134617500

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile (CID 119009018) is 2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile is N#CCc1ccnc(N)c1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile?
The InChIKey is JFELZJFPRNRLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)21-11-3-1-2-10(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-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile?
2-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-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-[2-amino-3-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile is sourced from PubChem (CID 119009018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).