3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine

C13H9F3N4O2 — CID 2740940

IUPAC3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NN=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N4O2/c14-13(15,16)10-4-1-3-9(7-10)8-18-19-12-11(20(21)22)5-2-6-17-12/h1-8H,(H,17,19)
InChIKeyZYIIVTOZBTVTST-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.45
Rot. Bonds4

About 3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine

3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine (PubChem CID 2740940) has the molecular formula C13H9F3N4O2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
PubChem CID2740940
Molecular FormulaC13H9F3N4O2
Molecular Weight310.24 g/mol
Exact Mass310.07
IUPAC Name3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1NN=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N4O2/c14-13(15,16)10-4-1-3-9(7-10)8-18-19-12-11(20(21)22)5-2-6-17-12/h1-8H,(H,17,19)
InChIKeyZYIIVTOZBTVTST-UHFFFAOYSA-N
XLogP3.45
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.45
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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Related Compounds

N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
N-[(Z)-furan-3-ylmethylideneamino]-3-nitropyridin-2-amine
CID 126100579
3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
CID 126111430
2-nitro-N-[(3-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 3610108
3-nitro-N-[(Z)-(3-nitro-4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 126109598
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126124527
3-nitro-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]pyridin-2-amine
CID 50853900
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126071392
N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126095785
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126105865

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine?
The IUPAC name of 3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine (CID 2740940) is 3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine is O=[N+]([O-])c1cccnc1NN=Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine?
The InChIKey is ZYIIVTOZBTVTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O2/c14-13(15,16)10-4-1-3-9(7-10)8-18-19-12-11(20(21)22)5-2-6-17-12/h1-8H,(H,17,19).
What are the key properties of 3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine?
3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine has a molecular weight of 310.24 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine is sourced from PubChem (CID 2740940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).