1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine

C23H23F3N2O — CID 142975922

IUPAC1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine
SMILESC/N=C(\C=C(C)C)c1c(O)ccc2ccccc12.Cc1ncccc1C(F)(F)F
InChIInChI=1S/C16H17NO.C7H6F3N/c1-11(2)10-14(17-3)16-13-7-5-4-6-12(13)8-9-15(16)18;1-5-6(7(8,9)10)3-2-4-11-5/h4-10,18H,1-3H3;2-4H,1H3/b17-14+;
InChIKeyZOCOZLYUUKEKKT-KLSJZZFUSA-N
MW400.44 g/mol
LogP6.34
Rot. Bonds2

About 1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine

1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine (PubChem CID 142975922) has the molecular formula C23H23F3N2O and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine
PubChem CID142975922
Molecular FormulaC23H23F3N2O
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine
SMILESC/N=C(\C=C(C)C)c1c(O)ccc2ccccc12.Cc1ncccc1C(F)(F)F
InChIInChI=1S/C16H17NO.C7H6F3N/c1-11(2)10-14(17-3)16-13-7-5-4-6-12(13)8-9-15(16)18;1-5-6(7(8,9)10)3-2-4-11-5/h4-10,18H,1-3H3;2-4H,1H3/b17-14+;
InChIKeyZOCOZLYUUKEKKT-KLSJZZFUSA-N
XLogP6.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
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4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611

Frequently Asked Questions

What is the IUPAC name of 1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine (CID 142975922) is 1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine is C/N=C(\C=C(C)C)c1c(O)ccc2ccccc12.Cc1ncccc1C(F)(F)F.
What is the InChIKey of 1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is ZOCOZLYUUKEKKT-KLSJZZFUSA-N. The full InChI is InChI=1S/C16H17NO.C7H6F3N/c1-11(2)10-14(17-3)16-13-7-5-4-6-12(13)8-9-15(16)18;1-5-6(7(8,9)10)3-2-4-11-5/h4-10,18H,1-3H3;2-4H,1H3/b17-14+;.
What are the key properties of 1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine?
1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine has a molecular weight of 400.44 g/mol, XLogP of 6.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-methyl-C-(2-methylprop-1-enyl)carbonimidoyl]naphthalen-2-ol;2-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 142975922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).