(Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile

C19H11F3N2 — CID 24662512

IUPAC(Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
SMILESN#C/C(=C\c1cccc2ccccc12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H11F3N2/c20-19(21,22)16-8-9-18(24-12-16)15(11-23)10-14-6-3-5-13-4-1-2-7-17(13)14/h1-10,12H/b15-10+
InChIKeyOYEDVGOQNZMWBY-XNTDXEJSSA-N
MW324.31 g/mol
LogP5.32
Rot. Bonds2

About (Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile

(Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile (PubChem CID 24662512) has the molecular formula C19H11F3N2 and a molecular weight of 324.31 g/mol. Its IUPAC name is (Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
PubChem CID24662512
Molecular FormulaC19H11F3N2
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name(Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
SMILESN#C/C(=C\c1cccc2ccccc12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H11F3N2/c20-19(21,22)16-8-9-18(24-12-16)15(11-23)10-14-6-3-5-13-4-1-2-7-17(13)14/h1-10,12H/b15-10+
InChIKeyOYEDVGOQNZMWBY-XNTDXEJSSA-N
XLogP5.32
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile (CID 24662512) is (Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile is N#C/C(=C\c1cccc2ccccc12)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The InChIKey is OYEDVGOQNZMWBY-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H11F3N2/c20-19(21,22)16-8-9-18(24-12-16)15(11-23)10-14-6-3-5-13-4-1-2-7-17(13)14/h1-10,12H/b15-10+.
What are the key properties of (Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
(Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile has a molecular weight of 324.31 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile is sourced from PubChem (CID 24662512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).