N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide

C15H12F3N3O2 — CID 142975699

IUPACN-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILESCO/N=C(\N=C\c1ccccc1O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H12F3N3O2/c1-23-21-14(20-8-10-4-2-3-5-13(10)22)12-7-6-11(9-19-12)15(16,17)18/h2-9,22H,1H3/b20-8+,21-14-
InChIKeyRUJLQESZGMFIDL-NERNVWDPSA-N
MW323.27 g/mol
LogP3.23
Rot. Bonds3

About N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide

N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide (PubChem CID 142975699) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide
PubChem CID142975699
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC NameN-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide
SMILESCO/N=C(\N=C\c1ccccc1O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H12F3N3O2/c1-23-21-14(20-8-10-4-2-3-5-13(10)22)12-7-6-11(9-19-12)15(16,17)18/h2-9,22H,1H3/b20-8+,21-14-
InChIKeyRUJLQESZGMFIDL-NERNVWDPSA-N
XLogP3.23
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

NoName_714
CID 135489221
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
4-(Pyridin-2-ylmethyl)phenol
CID 603599
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
1-{[(6-Oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}pyridin-1-ium iodide
CID 135519980
2,6-dimethyl-4-[(E)-2-pyridin-2-ylethenyl]phenol
CID 135616214
3-[2-(2-Pyridinyl)ethyl]phenol
CID 226651
2-((E)-(2-Pyridinylimino)methyl)phenol
CID 135439975
Alpha-(6-methyl-2-pyridylimino)-O-cresol
CID 135421635
2-(5-Butyl-pyridin-2-yl)-5-methyl-phenol
CID 652844

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide (CID 142975699) is N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide is CO/N=C(\N=C\c1ccccc1O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
The InChIKey is RUJLQESZGMFIDL-NERNVWDPSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c1-23-21-14(20-8-10-4-2-3-5-13(10)22)12-7-6-11(9-19-12)15(16,17)18/h2-9,22H,1H3/b20-8+,21-14-.
What are the key properties of N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide?
N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide has a molecular weight of 323.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylidene]-N'-methoxy-5-(trifluoromethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 142975699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).