2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide

C15H16ClF3N4O3 — CID 144784338

IUPAC2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide
SMILESCNc1cccc(OC(F)(F)F)c1COc1cnccc1Cl.NNC=O
InChIInChI=1S/C14H12ClF3N2O2.CH4N2O/c1-19-11-3-2-4-12(22-14(16,17)18)9(11)8-21-13-7-20-6-5-10(13)15;2-3-1-4/h2-7,19H,8H2,1H3;1H,2H2,(H,3,4)
InChIKeyGTVYECHYDNLCPU-UHFFFAOYSA-N
MW392.77 g/mol
LogP2.86
Rot. Bonds6

About 2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide

2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide (PubChem CID 144784338) has the molecular formula C15H16ClF3N4O3 and a molecular weight of 392.77 g/mol. Its IUPAC name is 2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide.

Molecular Properties

Compound Name2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide
PubChem CID144784338
Molecular FormulaC15H16ClF3N4O3
Molecular Weight392.77 g/mol
Exact Mass392.09
IUPAC Name2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide
SMILESCNc1cccc(OC(F)(F)F)c1COc1cnccc1Cl.NNC=O
InChIInChI=1S/C14H12ClF3N2O2.CH4N2O/c1-19-11-3-2-4-12(22-14(16,17)18)9(11)8-21-13-7-20-6-5-10(13)15;2-3-1-4/h2-7,19H,8H2,1H3;1H,2H2,(H,3,4)
InChIKeyGTVYECHYDNLCPU-UHFFFAOYSA-N
XLogP2.86
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide
CID 144784027
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline
CID 144784328
3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144783928
1-amino-3-[2-[(4-methylpyrimidin-5-yl)oxymethyl]-3-(trifluoromethoxy)phenyl]urea
CID 144784267
N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline
CID 144784376
2-[[4-(5-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-N,3-dimethylaniline;formohydrazide
CID 144772924
6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile
CID 144784659
3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide
CID 144784090
3-bromo-N-methyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline;ethane;formohydrazide
CID 144784532
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
3-chloro-2-[(2,4-difluorophenoxy)methyl]-N-methylaniline;propanal
CID 144933012
3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144784046

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide?
The IUPAC name of 2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide (CID 144784338) is 2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide.
What is the SMILES notation for 2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide?
The canonical SMILES for 2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide is CNc1cccc(OC(F)(F)F)c1COc1cnccc1Cl.NNC=O.
What is the InChIKey of 2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide?
The InChIKey is GTVYECHYDNLCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2.CH4N2O/c1-19-11-3-2-4-12(22-14(16,17)18)9(11)8-21-13-7-20-6-5-10(13)15;2-3-1-4/h2-7,19H,8H2,1H3;1H,2H2,(H,3,4).
What are the key properties of 2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide?
2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide has a molecular weight of 392.77 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide is sourced from PubChem (CID 144784338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).