N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide

C13H10BrN3O — CID 760228

IUPACN-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(NN=Cc1ccccc1Br)c1ccccn1
InChIInChI=1S/C13H10BrN3O/c14-11-6-2-1-5-10(11)9-16-17-13(18)12-7-3-4-8-15-12/h1-9H,(H,17,18)
InChIKeyPRVMMGONYICJRV-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.61
Rot. Bonds3

About N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide

N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 760228) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID760228
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC NameN-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(NN=Cc1ccccc1Br)c1ccccn1
InChIInChI=1S/C13H10BrN3O/c14-11-6-2-1-5-10(11)9-16-17-13(18)12-7-3-4-8-15-12/h1-9H,(H,17,18)
InChIKeyPRVMMGONYICJRV-UHFFFAOYSA-N
XLogP2.61
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136794117
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
N-[(E)-(2-diphenylphosphanylphenyl)methylideneamino]pyridine-2-carboxamide
CID 177413509
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 135505377
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5411322
N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
CID 842250
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 136750100
N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6866321
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
CID 3707808
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide (CID 760228) is N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide is O=C(NN=Cc1ccccc1Br)c1ccccn1.
What is the InChIKey of N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is PRVMMGONYICJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-11-6-2-1-5-10(11)9-16-17-13(18)12-7-3-4-8-15-12/h1-9H,(H,17,18).
What are the key properties of N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide?
N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 304.15 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 760228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).