N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide

C13H10BrN3O2 — CID 135591242

IUPACN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c(Br)c1)c1cccnc1
InChIInChI=1S/C13H10BrN3O2/c14-11-6-9(3-4-12(11)18)7-16-17-13(19)10-2-1-5-15-8-10/h1-8,18H,(H,17,19)/b16-7+
InChIKeyVFNBCMXKFLAZMB-FRKPEAEDSA-N
MW320.15 g/mol
LogP2.31
Rot. Bonds3

About N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135591242) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID135591242
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC NameN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c(Br)c1)c1cccnc1
InChIInChI=1S/C13H10BrN3O2/c14-11-6-9(3-4-12(11)18)7-16-17-13(19)10-2-1-5-15-8-10/h1-8,18H,(H,17,19)/b16-7+
InChIKeyVFNBCMXKFLAZMB-FRKPEAEDSA-N
XLogP2.31
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135428734
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1124780
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136777408
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
CID 137020316
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide
CID 44725537
N-[(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 3600864
3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 135842502
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-3-carboxamide
CID 6898640
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 135591242) is N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1ccc(O)c(Br)c1)c1cccnc1.
What is the InChIKey of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is VFNBCMXKFLAZMB-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-11-6-9(3-4-12(11)18)7-16-17-13(19)10-2-1-5-15-8-10/h1-8,18H,(H,17,19)/b16-7+.
What are the key properties of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 320.15 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135591242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).