3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C15H13ClF3N3O — CID 9216990

IUPAC3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1ccccc1/C=N\Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H13ClF3N3O/c1-2-23-13-6-4-3-5-10(13)8-21-22-14-12(16)7-11(9-20-14)15(17,18)19/h3-9H,2H2,1H3,(H,20,22)/b21-8-
InChIKeyIMYOYPGYGNVBHI-WNFQYIGGSA-N
MW343.74 g/mol
LogP4.60
Rot. Bonds5

About 3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 9216990) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID9216990
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC Name3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1ccccc1/C=N\Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H13ClF3N3O/c1-2-23-13-6-4-3-5-10(13)8-21-22-14-12(16)7-11(9-20-14)15(17,18)19/h3-9H,2H2,1H3,(H,20,22)/b21-8-
InChIKeyIMYOYPGYGNVBHI-WNFQYIGGSA-N
XLogP4.60
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 54.60
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'}

Analyze 3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6143287
3-chloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6165867
1-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135614773
1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]naphthalen-2-ol
CID 4026008
4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135608192
4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol
CID 135778423
3-chloro-N-[(2-ethoxyphenyl)methylideneamino]aniline
CID 78597618
2-[4-[(Z)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 9216919
2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol
CID 4840391
2,6-dibromo-4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
CID 4616912
3-chloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
CID 6902838

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 9216990) is 3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is CCOc1ccccc1/C=N\Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IMYOYPGYGNVBHI-WNFQYIGGSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c1-2-23-13-6-4-3-5-10(13)8-21-22-14-12(16)7-11(9-20-14)15(17,18)19/h3-9H,2H2,1H3,(H,20,22)/b21-8-.
What are the key properties of 3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 343.74 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 9216990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).