(Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile

C15H8F3N3O3 — CID 132969970

IUPAC(Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
SMILESN#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H8F3N3O3/c16-15(17,18)11-1-3-13(20-8-11)10(7-19)5-9-6-12(22)2-4-14(9)21(23)24/h1-6,8,22H/b10-5+
InChIKeyHMBZZHZELMIOQQ-BJMVGYQFSA-N
MW335.24 g/mol
LogP3.78
Rot. Bonds3

About (Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile

(Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile (PubChem CID 132969970) has the molecular formula C15H8F3N3O3 and a molecular weight of 335.24 g/mol. Its IUPAC name is (Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
PubChem CID132969970
Molecular FormulaC15H8F3N3O3
Molecular Weight335.24 g/mol
Exact Mass335.05
IUPAC Name(Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
SMILESN#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H8F3N3O3/c16-15(17,18)11-1-3-13(20-8-11)10(7-19)5-9-6-12(22)2-4-14(9)21(23)24/h1-6,8,22H/b10-5+
InChIKeyHMBZZHZELMIOQQ-BJMVGYQFSA-N
XLogP3.78
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(2-chloro-5-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662588
3-[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 103598541
(Z)-3-(2-bromophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662545
(Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662569
(Z)-3-naphthalen-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662512
(Z)-3-(2,6-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662540
(E)-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 47046234
(Z)-3-(4-methylsulfanylphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662539
(Z)-3-(4-hydroxy-2-nitrophenyl)-2-(4-hydroxyphenyl)prop-2-enenitrile
CID 25027688
(Z)-2-(5-nitro-2-pyridinyl)-3-phenylprop-2-enenitrile
CID 12012670
4-[2-[(E)-1-cyano-2-(5-hydroxy-2-nitrophenyl)ethenyl]-1,3-thiazol-4-yl]benzonitrile
CID 166234820
(E)-3-(4-propan-2-yloxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 74766351

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile (CID 132969970) is (Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile is N#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The InChIKey is HMBZZHZELMIOQQ-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H8F3N3O3/c16-15(17,18)11-1-3-13(20-8-11)10(7-19)5-9-6-12(22)2-4-14(9)21(23)24/h1-6,8,22H/b10-5+.
What are the key properties of (Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
(Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile has a molecular weight of 335.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile is sourced from PubChem (CID 132969970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).