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

C13H9Br2N3O2 — CID 136858289

IUPACN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1ccncc1
InChIInChI=1S/C13H9Br2N3O2/c14-10-5-8(6-11(15)12(10)19)7-17-18-13(20)9-1-3-16-4-2-9/h1-7,19H,(H,18,20)/b17-7-
InChIKeyHPZFTWXCDPGAMT-IDUWFGFVSA-N
MW399.04 g/mol
LogP3.08
Rot. Bonds3

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

N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 136858289) has the molecular formula C13H9Br2N3O2 and a molecular weight of 399.04 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID136858289
Molecular FormulaC13H9Br2N3O2
Molecular Weight399.04 g/mol
Exact Mass396.91
IUPAC NameN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1ccncc1
InChIInChI=1S/C13H9Br2N3O2/c14-10-5-8(6-11(15)12(10)19)7-17-18-13(20)9-1-3-16-4-2-9/h1-7,19H,(H,18,20)/b17-7-
InChIKeyHPZFTWXCDPGAMT-IDUWFGFVSA-N
XLogP3.08
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.04
LogP ≤ 53.08
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-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135604377
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 41270292
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 136593098
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643416
3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 3877269
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide
CID 2378017
N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135478100

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 136858289) is N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1ccncc1.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is HPZFTWXCDPGAMT-IDUWFGFVSA-N. The full InChI is InChI=1S/C13H9Br2N3O2/c14-10-5-8(6-11(15)12(10)19)7-17-18-13(20)9-1-3-16-4-2-9/h1-7,19H,(H,18,20)/b17-7-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 399.04 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 136858289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).