N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide

C13H9Br2N3O3 — CID 136794117

IUPACN-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(O)c1Br)c1ccccn1
InChIInChI=1S/C13H9Br2N3O3/c14-8-5-7(10(15)12(20)11(8)19)6-17-18-13(21)9-3-1-2-4-16-9/h1-6,19-20H,(H,18,21)/b17-6-
InChIKeyCGWDRSGYEZESFF-FMQZQXMHSA-N
MW415.04 g/mol
LogP2.78
Rot. Bonds3

About N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide

N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 136794117) has the molecular formula C13H9Br2N3O3 and a molecular weight of 415.04 g/mol. Its IUPAC name is N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID136794117
Molecular FormulaC13H9Br2N3O3
Molecular Weight415.04 g/mol
Exact Mass412.90
IUPAC NameN-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(O)c1Br)c1ccccn1
InChIInChI=1S/C13H9Br2N3O3/c14-8-5-7(10(15)12(20)11(8)19)6-17-18-13(21)9-3-1-2-4-16-9/h1-6,19-20H,(H,18,21)/b17-6-
InChIKeyCGWDRSGYEZESFF-FMQZQXMHSA-N
XLogP2.78
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.04
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
CID 760228
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 135505377
2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136749231
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 136750100
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136863964
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5411322
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136749233
N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6866321

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide (CID 136794117) is N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C\c1cc(Br)c(O)c(O)c1Br)c1ccccn1.
What is the InChIKey of N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is CGWDRSGYEZESFF-FMQZQXMHSA-N. The full InChI is InChI=1S/C13H9Br2N3O3/c14-8-5-7(10(15)12(20)11(8)19)6-17-18-13(21)9-3-1-2-4-16-9/h1-6,19-20H,(H,18,21)/b17-6-.
What are the key properties of N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide?
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 415.04 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 136794117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).