N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine

C14H11ClF3N3 — CID 166628659

IUPACN-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NC/C=C/c2ccc(Cl)nc2)ccn1
InChIInChI=1S/C14H11ClF3N3/c15-13-4-3-10(9-21-13)2-1-6-19-11-5-7-20-12(8-11)14(16,17)18/h1-5,7-9H,6H2,(H,19,20)/b2-1+
InChIKeyPQJYRROJPAAVFM-OWOJBTEDSA-N
MW313.71 g/mol
LogP4.27
Rot. Bonds4

About N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine

N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 166628659) has the molecular formula C14H11ClF3N3 and a molecular weight of 313.71 g/mol. Its IUPAC name is N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID166628659
Molecular FormulaC14H11ClF3N3
Molecular Weight313.71 g/mol
Exact Mass313.06
IUPAC NameN-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NC/C=C/c2ccc(Cl)nc2)ccn1
InChIInChI=1S/C14H11ClF3N3/c15-13-4-3-10(9-21-13)2-1-6-19-11-5-7-20-12(8-11)14(16,17)18/h1-5,7-9H,6H2,(H,19,20)/b2-1+
InChIKeyPQJYRROJPAAVFM-OWOJBTEDSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine (CID 166628659) is N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(NC/C=C/c2ccc(Cl)nc2)ccn1.
What is the InChIKey of N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is PQJYRROJPAAVFM-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H11ClF3N3/c15-13-4-3-10(9-21-13)2-1-6-19-11-5-7-20-12(8-11)14(16,17)18/h1-5,7-9H,6H2,(H,19,20)/b2-1+.
What are the key properties of N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 313.71 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(6-chloro-3-pyridinyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 166628659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).