4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol

C16H16BrFN2O2 — CID 173320050

IUPAC4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol
SMILESCC(C)(C)ON=C(c1cc(Br)ccc1O)c1ncccc1F
InChIInChI=1S/C16H16BrFN2O2/c1-16(2,3)22-20-14(15-12(18)5-4-8-19-15)11-9-10(17)6-7-13(11)21/h4-9,21H,1-3H3
InChIKeyDXSMOVGUJKIZBQ-UHFFFAOYSA-N
MW367.22 g/mol
LogP4.26
Rot. Bonds3

About 4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol

4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol (PubChem CID 173320050) has the molecular formula C16H16BrFN2O2 and a molecular weight of 367.22 g/mol. Its IUPAC name is 4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol
PubChem CID173320050
Molecular FormulaC16H16BrFN2O2
Molecular Weight367.22 g/mol
Exact Mass366.04
IUPAC Name4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol
SMILESCC(C)(C)ON=C(c1cc(Br)ccc1O)c1ncccc1F
InChIInChI=1S/C16H16BrFN2O2/c1-16(2,3)22-20-14(15-12(18)5-4-8-19-15)11-9-10(17)6-7-13(11)21/h4-9,21H,1-3H3
InChIKeyDXSMOVGUJKIZBQ-UHFFFAOYSA-N
XLogP4.26
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

CID 1858892
CID 1858892
CID 3984426
CID 3984426
CID 5008754
CID 5008754
CID 24761569
CID 24761569
CID 136079596
CID 136079596
CID 54581977
CID 54581977
CID 135888981
CID 135888981
CID 136234177
CID 136234177
CID 162650879
CID 162650879
CID 162657668
CID 162657668
CID 168298404
CID 168298404
CID 172468631
CID 172468631

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol?
The IUPAC name of 4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol (CID 173320050) is 4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol.
What is the SMILES notation for 4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol?
The canonical SMILES for 4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol is CC(C)(C)ON=C(c1cc(Br)ccc1O)c1ncccc1F.
What is the InChIKey of 4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol?
The InChIKey is DXSMOVGUJKIZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O2/c1-16(2,3)22-20-14(15-12(18)5-4-8-19-15)11-9-10(17)6-7-13(11)21/h4-9,21H,1-3H3.
What are the key properties of 4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol?
4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol has a molecular weight of 367.22 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[C-(3-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]phenol is sourced from PubChem (CID 173320050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).