5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide

C13H9BrClN3O — CID 789585

IUPAC5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)c1cncc(Br)c1
InChIInChI=1S/C13H9BrClN3O/c14-11-5-10(7-16-8-11)13(19)18-17-6-9-1-3-12(15)4-2-9/h1-8H,(H,18,19)
InChIKeyBJWTUTHTTYKXSR-UHFFFAOYSA-N
MW338.59 g/mol
LogP3.26
Rot. Bonds3

About 5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 789585) has the molecular formula C13H9BrClN3O and a molecular weight of 338.59 g/mol. Its IUPAC name is 5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID789585
Molecular FormulaC13H9BrClN3O
Molecular Weight338.59 g/mol
Exact Mass336.96
IUPAC Name5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1)c1cncc(Br)c1
InChIInChI=1S/C13H9BrClN3O/c14-11-5-10(7-16-8-11)13(19)18-17-6-9-1-3-12(15)4-2-9/h1-8H,(H,18,19)
InChIKeyBJWTUTHTTYKXSR-UHFFFAOYSA-N
XLogP3.26
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 53.26
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

5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
CID 6311396
5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 1381844
5-bromo-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 135643230
5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136794132
5-bromo-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 5437060
5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1048926
5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 6899822
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]pyridine-3-carboxamide
CID 126111355
5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
CID 3599810
5-bromo-N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1381873
5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3359702

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide (CID 789585) is 5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide is O=C(NN=Cc1ccc(Cl)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is BJWTUTHTTYKXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O/c14-11-5-10(7-16-8-11)13(19)18-17-6-9-1-3-12(15)4-2-9/h1-8H,(H,18,19).
What are the key properties of 5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 338.59 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 789585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).