2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C17H23ClF6N4O — CID 162202560

IUPAC2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESC.CCO.Cc1cc(C(F)(F)F)cc(Cl)n1.Cc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C7H5ClF3N.C7H8F3N3.C2H6O.CH4/c1-4-2-5(7(9,10)11)3-6(8)12-4;1-4-2-5(7(8,9)10)3-6(12-4)13-11;1-2-3;/h2-3H,1H3;2-3H,11H2,1H3,(H,12,13);3H,2H2,1H3;1H4
InChIKeyZRTXJQUQXGZJMS-UHFFFAOYSA-N
MW448.84 g/mol
LogP5.39
Rot. Bonds1

About 2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine

2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 162202560) has the molecular formula C17H23ClF6N4O and a molecular weight of 448.84 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID162202560
Molecular FormulaC17H23ClF6N4O
Molecular Weight448.84 g/mol
Exact Mass448.15
IUPAC Name2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESC.CCO.Cc1cc(C(F)(F)F)cc(Cl)n1.Cc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C7H5ClF3N.C7H8F3N3.C2H6O.CH4/c1-4-2-5(7(9,10)11)3-6(8)12-4;1-4-2-5(7(8,9)10)3-6(12-4)13-11;1-2-3;/h2-3H,1H3;2-3H,11H2,1H3,(H,12,13);3H,2H2,1H3;1H4
InChIKeyZRTXJQUQXGZJMS-UHFFFAOYSA-N
XLogP5.39
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.84
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol
CID 106294581
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dimethylpyrrole-2,5-diol
CID 91079762
6-chloro-N-pentan-2-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102715439
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
CID 106358437
N-hexyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720771
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720917
6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720647
methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 97136425
2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102721067
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of 2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 162202560) is 2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for 2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for 2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine is C.CCO.Cc1cc(C(F)(F)F)cc(Cl)n1.Cc1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of 2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is ZRTXJQUQXGZJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N.C7H8F3N3.C2H6O.CH4/c1-4-2-5(7(9,10)11)3-6(8)12-4;1-4-2-5(7(8,9)10)3-6(12-4)13-11;1-2-3;/h2-3H,1H3;2-3H,11H2,1H3,(H,12,13);3H,2H2,1H3;1H4.
What are the key properties of 2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 448.84 g/mol, XLogP of 5.39, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 162202560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).