N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide

C13H10BrN3O2 — CID 135588610

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccccn1
InChIInChI=1S/C13H10BrN3O2/c14-10-4-5-12(18)9(7-10)8-16-17-13(19)11-3-1-2-6-15-11/h1-8,18H,(H,17,19)/b16-8+
InChIKeyVMUOWOFNRPSKQV-LZYBPNLTSA-N
MW320.15 g/mol
LogP2.31
Rot. Bonds3

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 135588610) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID135588610
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccccn1
InChIInChI=1S/C13H10BrN3O2/c14-10-4-5-12(18)9(7-10)8-16-17-13(19)11-3-1-2-6-15-11/h1-8,18H,(H,17,19)/b16-8+
InChIKeyVMUOWOFNRPSKQV-LZYBPNLTSA-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_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide (CID 135588610) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1cc(Br)ccc1O)c1ccccn1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is VMUOWOFNRPSKQV-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-10-4-5-12(18)9(7-10)8-16-17-13(19)11-3-1-2-6-15-11/h1-8,18H,(H,17,19)/b16-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-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)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 135588610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).