2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol

C13H8ClF3N2O — CID 135533230

IUPAC2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF3N2O/c14-10-5-9(13(15,16)17)7-19-12(10)18-6-8-3-1-2-4-11(8)20/h1-7,20H/b18-6+
InChIKeyBMYHQEKGIRCDMV-NGYBGAFCSA-N
MW300.67 g/mol
LogP4.21
Rot. Bonds2

About 2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol

2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol (PubChem CID 135533230) has the molecular formula C13H8ClF3N2O and a molecular weight of 300.67 g/mol. Its IUPAC name is 2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol
PubChem CID135533230
Molecular FormulaC13H8ClF3N2O
Molecular Weight300.67 g/mol
Exact Mass300.03
IUPAC Name2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF3N2O/c14-10-5-9(13(15,16)17)7-19-12(10)18-6-8-3-1-2-4-11(8)20/h1-7,20H/b18-6+
InChIKeyBMYHQEKGIRCDMV-NGYBGAFCSA-N
XLogP4.21
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.67
LogP ≤ 54.21
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

Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
2,4-Dihydroxybenzaldehyde 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-methylhydrazone
CID 135544972
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-methyl}benzenol
CID 2782995
4-Chloro-2-[(pyridin-2-ylamino)methyl]phenol
CID 890711
2-((E)-(2-Pyridinylimino)methyl)phenol
CID 135439975
2,4-dichloro-6-{(E)-[(5-methylpyridin-2-yl)imino]methyl}phenol
CID 914307
2-(2-Amino-3-pyridinyl)phenol
CID 82555989
4-Hydroxybenzaldehyde (3,5-dichloropyridin-2-yl)hydrazone
CID 135580378
2-(2-Pyridyliminomethyl)phenol
CID 137227
2-((5-Chloro-pyridin-2-ylimino)-methyl)-phenol
CID 321014
1-{(E)-[(5-chloropyridin-2-yl)imino]methyl}-2-naphthol
CID 710273
2-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-methoxyphenol
CID 135676005

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol?
The IUPAC name of 2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol (CID 135533230) is 2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol?
The canonical SMILES for 2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol?
The InChIKey is BMYHQEKGIRCDMV-NGYBGAFCSA-N. The full InChI is InChI=1S/C13H8ClF3N2O/c14-10-5-9(13(15,16)17)7-19-12(10)18-6-8-3-1-2-4-11(8)20/h1-7,20H/b18-6+.
What are the key properties of 2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol?
2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol has a molecular weight of 300.67 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]iminomethyl]phenol is sourced from PubChem (CID 135533230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).