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

C19H10F3N3O3 — CID 24662569

IUPAC(Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H10F3N3O3/c20-19(21,22)14-4-6-17(24-11-14)13(10-23)9-16-5-7-18(28-16)12-2-1-3-15(8-12)25(26)27/h1-9,11H/b13-9+
InChIKeyOUMXDCYQSCGJEB-UKTHLTGXSA-N
MW385.30 g/mol
LogP5.33
Rot. Bonds4

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

(Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile (PubChem CID 24662569) has the molecular formula C19H10F3N3O3 and a molecular weight of 385.30 g/mol. Its IUPAC name is (Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
PubChem CID24662569
Molecular FormulaC19H10F3N3O3
Molecular Weight385.30 g/mol
Exact Mass385.07
IUPAC Name(Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C19H10F3N3O3/c20-19(21,22)14-4-6-17(24-11-14)13(10-23)9-16-5-7-18(28-16)12-2-1-3-15(8-12)25(26)27/h1-9,11H/b13-9+
InChIKeyOUMXDCYQSCGJEB-UKTHLTGXSA-N
XLogP5.33
TPSA92.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.30
LogP ≤ 55.33
H-Bond Donors ≤ 50
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-(3-nitrophenyl)furan-2-yl]-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
2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 812283
(Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1182671
3-[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 103598541
3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 2964036
3-[5-(4-chlorophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 3392732
(Z)-3-(5-hydroxy-2-nitrophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 132969970
N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 4710476
(E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 6197018
2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
CID 3704591
(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 6196785
(Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 126397647

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile (CID 24662569) is (Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile is N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
The InChIKey is OUMXDCYQSCGJEB-UKTHLTGXSA-N. The full InChI is InChI=1S/C19H10F3N3O3/c20-19(21,22)14-4-6-17(24-11-14)13(10-23)9-16-5-7-18(28-16)12-2-1-3-15(8-12)25(26)27/h1-9,11H/b13-9+.
What are the key properties of (Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile?
(Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile has a molecular weight of 385.30 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile is sourced from PubChem (CID 24662569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).