N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine

C12H9F3N4 — CID 73428568

IUPACN-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NN=Cc2ccncc2)nc1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)10-1-2-11(17-8-10)19-18-7-9-3-5-16-6-4-9/h1-8H,(H,17,19)
InChIKeyGXGNITVQMBFVQR-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.94
Rot. Bonds3

About N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine

N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 73428568) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID73428568
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC NameN-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NN=Cc2ccncc2)nc1
InChIInChI=1S/C12H9F3N4/c13-12(14,15)10-1-2-11(17-8-10)19-18-7-9-3-5-16-6-4-9/h1-8H,(H,17,19)
InChIKeyGXGNITVQMBFVQR-UHFFFAOYSA-N
XLogP2.94
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6162877
N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933190
5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 18229276
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126124508
N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 4854807
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933215
N-[(Z)-(3-iodo-4-prop-2-enoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126112328
N-[(Z)-[3,5-diiodo-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126107094
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
CID 8974838
N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126077830
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126070396

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine (CID 73428568) is N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NN=Cc2ccncc2)nc1.
What is the InChIKey of N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GXGNITVQMBFVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c13-12(14,15)10-1-2-11(17-8-10)19-18-7-9-3-5-16-6-4-9/h1-8H,(H,17,19).
What are the key properties of N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine?
N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 266.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 73428568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).