N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C13H9ClF3N3 — CID 5334939

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C/c2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H9ClF3N3/c14-11-4-1-9(2-5-11)7-19-20-12-6-3-10(8-18-12)13(15,16)17/h1-8H,(H,18,20)/b19-7+
InChIKeyYNDYEFYKMWLLRV-FBCYGCLPSA-N
MW299.68 g/mol
LogP4.20
Rot. Bonds3

About N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 5334939) has the molecular formula C13H9ClF3N3 and a molecular weight of 299.68 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID5334939
Molecular FormulaC13H9ClF3N3
Molecular Weight299.68 g/mol
Exact Mass299.04
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C/c2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H9ClF3N3/c14-11-4-1-9(2-5-11)7-19-20-12-6-3-10(8-18-12)13(15,16)17/h1-8H,(H,18,20)/b19-7+
InChIKeyYNDYEFYKMWLLRV-FBCYGCLPSA-N
XLogP4.20
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 5334939) is N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(N/N=C/c2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YNDYEFYKMWLLRV-FBCYGCLPSA-N. The full InChI is InChI=1S/C13H9ClF3N3/c14-11-4-1-9(2-5-11)7-19-20-12-6-3-10(8-18-12)13(15,16)17/h1-8H,(H,18,20)/b19-7+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 299.68 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 5334939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).