N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine

C13H10F3N3 — CID 3937895

IUPACN-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NN=Cc2ccccc2)nc1
InChIInChI=1S/C13H10F3N3/c14-13(15,16)11-6-7-12(17-9-11)19-18-8-10-4-2-1-3-5-10/h1-9H,(H,17,19)
InChIKeyKCBAUSWIOQFUER-UHFFFAOYSA-N
MW265.24 g/mol
LogP3.55
Rot. Bonds3

About N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine

N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 3937895) has the molecular formula C13H10F3N3 and a molecular weight of 265.24 g/mol. Its IUPAC name is N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID3937895
Molecular FormulaC13H10F3N3
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC NameN-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NN=Cc2ccccc2)nc1
InChIInChI=1S/C13H10F3N3/c14-13(15,16)11-6-7-12(17-9-11)19-18-8-10-4-2-1-3-5-10/h1-9H,(H,17,19)
InChIKeyKCBAUSWIOQFUER-UHFFFAOYSA-N
XLogP3.55
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 53.55
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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Related Compounds

N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 73428568
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6162877
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933215
N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933190
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126124508
N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine
CID 70641725
5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 18229276
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
CID 8974838
N-[(Z)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126103627
N-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 131674302
N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 4854807
N-[(Z)-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126112091

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine (CID 3937895) is N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NN=Cc2ccccc2)nc1.
What is the InChIKey of N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KCBAUSWIOQFUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3/c14-13(15,16)11-6-7-12(17-9-11)19-18-8-10-4-2-1-3-5-10/h1-9H,(H,17,19).
What are the key properties of N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine?
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 265.24 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 3937895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).