2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol

C16H16ClF3N4O — CID 4840391

IUPAC2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(C=NNc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C16H16ClF3N4O/c1-24(6-7-25)13-4-2-11(3-5-13)9-22-23-15-14(17)8-12(10-21-15)16(18,19)20/h2-5,8-10,25H,6-7H2,1H3,(H,21,23)
InChIKeyKYXRTUJNMWGFBD-UHFFFAOYSA-N
MW372.78 g/mol
LogP3.63
Rot. Bonds6

About 2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol

2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol (PubChem CID 4840391) has the molecular formula C16H16ClF3N4O and a molecular weight of 372.78 g/mol. Its IUPAC name is 2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol
PubChem CID4840391
Molecular FormulaC16H16ClF3N4O
Molecular Weight372.78 g/mol
Exact Mass372.10
IUPAC Name2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(C=NNc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C16H16ClF3N4O/c1-24(6-7-25)13-4-2-11(3-5-13)9-22-23-15-14(17)8-12(10-21-15)16(18,19)20/h2-5,8-10,25H,6-7H2,1H3,(H,21,23)
InChIKeyKYXRTUJNMWGFBD-UHFFFAOYSA-N
XLogP3.63
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6165867
4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135608192
2,6-dibromo-4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
CID 4616912
2-[4-[(Z)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 9216919
2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol
CID 7955607
3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9216990
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-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 4999008
3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6143287
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol
CID 4522760
2-[4-[(Z)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 32703213

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol?
The IUPAC name of 2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol (CID 4840391) is 2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol is CN(CCO)c1ccc(C=NNc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol?
The InChIKey is KYXRTUJNMWGFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O/c1-24(6-7-25)13-4-2-11(3-5-13)9-22-23-15-14(17)8-12(10-21-15)16(18,19)20/h2-5,8-10,25H,6-7H2,1H3,(H,21,23).
What are the key properties of 2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol?
2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol has a molecular weight of 372.78 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol is sourced from PubChem (CID 4840391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).