2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol

C13H11F3N4O2 — CID 146171417

IUPAC2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2nccc(C(F)(F)F)n2)c1O
InChIInChI=1S/C13H11F3N4O2/c1-22-9-4-2-3-8(11(9)21)7-18-20-12-17-6-5-10(19-12)13(14,15)16/h2-7,21H,1H3,(H,17,19,20)
InChIKeyJWAFHLGWXITLEP-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.66
Rot. Bonds4

About 2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol

2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 146171417) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
PubChem CID146171417
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC Name2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2nccc(C(F)(F)F)n2)c1O
InChIInChI=1S/C13H11F3N4O2/c1-22-9-4-2-3-8(11(9)21)7-18-20-12-17-6-5-10(19-12)13(14,15)16/h2-7,21H,1H3,(H,17,19,20)
InChIKeyJWAFHLGWXITLEP-UHFFFAOYSA-N
XLogP2.66
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

(E)-2-methoxy-6-((2-(2-(pyridin-3-yl)quinazolin-4-yl)hydrazono)methyl)phenol
CID 135541840
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-methoxyphenol
CID 3078765
2,4-NH2Pyrimidine,5(3-OH-4meo)benzyl
CID 15571587
2-Allyl-4-(2,4-diamino-pyrimidin-5-ylmethyl)-6-methoxy-phenol
CID 14570151
2-Hydroxy-5-methoxybenzaldehyde (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135437629
4-[(4,6-Dimethyl-pyrimidin-2-yl)-hydrazonomethyl]-2-methoxy-phenol
CID 135458671
N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6866645
(E)-2-((2-(2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl)hydrazono)methyl)-6-methoxyphenol
CID 135455061
2-methoxy-6-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135497928
2-{(E)-[2-(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl}-6-methoxyphenol
CID 135521558
4-{(E)-[2-(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl}-2-methoxyphenol
CID 135648201
5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol
CID 68626091

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol (CID 146171417) is 2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol is COc1cccc(C=NNc2nccc(C(F)(F)F)n2)c1O.
What is the InChIKey of 2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is JWAFHLGWXITLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2/c1-22-9-4-2-3-8(11(9)21)7-18-20-12-17-6-5-10(19-12)13(14,15)16/h2-7,21H,1H3,(H,17,19,20).
What are the key properties of 2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol?
2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 312.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 146171417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).