N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine

C15H11F3N4O2 — CID 7933225

IUPACN-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1/C=C/C=N\Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)12-7-8-14(19-10-12)21-20-9-3-5-11-4-1-2-6-13(11)22(23)24/h1-10H,(H,19,21)/b5-3+,20-9-
InChIKeyBVYYKSMQPLVBPE-UMWQYMOSSA-N
MW336.27 g/mol
LogP4.12
Rot. Bonds5

About N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 7933225) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID7933225
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC NameN-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1/C=C/C=N\Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)12-7-8-14(19-10-12)21-20-9-3-5-11-4-1-2-6-13(11)22(23)24/h1-10H,(H,19,21)/b5-3+,20-9-
InChIKeyBVYYKSMQPLVBPE-UMWQYMOSSA-N
XLogP4.12
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine (CID 7933225) is N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine is O=[N+]([O-])c1ccccc1/C=C/C=N\Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BVYYKSMQPLVBPE-UMWQYMOSSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-15(17,18)12-7-8-14(19-10-12)21-20-9-3-5-11-4-1-2-6-13(11)22(23)24/h1-10H,(H,19,21)/b5-3+,20-9-.
What are the key properties of N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 336.27 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 7933225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).