3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine

C15H16ClF3N4O3 — CID 137208519

IUPAC3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine
SMILESCNC.Cc1cc(O)c(C=NNc2ncc(C(F)(F)F)cc2Cl)c(=O)o1
InChIInChI=1S/C13H9ClF3N3O3.C2H7N/c1-6-2-10(21)8(12(22)23-6)5-19-20-11-9(14)3-7(4-18-11)13(15,16)17;1-3-2/h2-5,21H,1H3,(H,18,20);3H,1-2H3
InChIKeyZMEFCOWIXFWLJE-UHFFFAOYSA-N
MW392.77 g/mol
LogP3.00
Rot. Bonds3

About 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine

3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine (PubChem CID 137208519) has the molecular formula C15H16ClF3N4O3 and a molecular weight of 392.77 g/mol. Its IUPAC name is 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine.

Molecular Properties

Compound Name3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine
PubChem CID137208519
Molecular FormulaC15H16ClF3N4O3
Molecular Weight392.77 g/mol
Exact Mass392.09
IUPAC Name3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine
SMILESCNC.Cc1cc(O)c(C=NNc2ncc(C(F)(F)F)cc2Cl)c(=O)o1
InChIInChI=1S/C13H9ClF3N3O3.C2H7N/c1-6-2-10(21)8(12(22)23-6)5-19-20-11-9(14)3-7(4-18-11)13(15,16)17;1-3-2/h2-5,21H,1H3,(H,18,20);3H,1-2H3
InChIKeyZMEFCOWIXFWLJE-UHFFFAOYSA-N
XLogP3.00
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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
3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol
CID 135778423
2,6-dibromo-4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
CID 4616912
4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135608192
(Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid
CID 6505731
3-chloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6165867
3-chloro-5-(trifluoromethyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 6143287
2-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-N-methylanilino]ethanol
CID 4840391
3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9216990
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 4999008

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine?
The IUPAC name of 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine (CID 137208519) is 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine.
What is the SMILES notation for 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine?
The canonical SMILES for 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine is CNC.Cc1cc(O)c(C=NNc2ncc(C(F)(F)F)cc2Cl)c(=O)o1.
What is the InChIKey of 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine?
The InChIKey is ZMEFCOWIXFWLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O3.C2H7N/c1-6-2-10(21)8(12(22)23-6)5-19-20-11-9(14)3-7(4-18-11)13(15,16)17;1-3-2/h2-5,21H,1H3,(H,18,20);3H,1-2H3.
What are the key properties of 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine?
3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine has a molecular weight of 392.77 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine is sourced from PubChem (CID 137208519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).