N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide

C19H14ClN5O3 — CID 3412202

IUPACN-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NN/C(=N/c2ccccc2)c2ccccn2)c1O
InChIInChI=1S/C19H14ClN5O3/c20-14-10-13(18(26)17(11-14)25(27)28)12-22-24-19(16-8-4-5-9-21-16)23-15-6-2-1-3-7-15/h1-12,26H,(H,23,24)
InChIKeyZPWUEOGTVYFDBR-UHFFFAOYSA-N
MW395.81 g/mol
LogP4.05
Rot. Bonds5

About N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide

N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide (PubChem CID 3412202) has the molecular formula C19H14ClN5O3 and a molecular weight of 395.81 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
PubChem CID3412202
Molecular FormulaC19H14ClN5O3
Molecular Weight395.81 g/mol
Exact Mass395.08
IUPAC NameN-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NN/C(=N/c2ccccc2)c2ccccn2)c1O
InChIInChI=1S/C19H14ClN5O3/c20-14-10-13(18(26)17(11-14)25(27)28)12-22-24-19(16-8-4-5-9-21-16)23-15-6-2-1-3-7-15/h1-12,26H,(H,23,24)
InChIKeyZPWUEOGTVYFDBR-UHFFFAOYSA-N
XLogP4.05
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 3097180
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 135683256
N-[(2,4-dichlorophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 4264071
N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 6032239
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 5339907
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
CID 3707808
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3097115
4-chloro-2-nitro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 135763883
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 135578991
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 135783800

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide?
The IUPAC name of N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide (CID 3412202) is N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide?
The canonical SMILES for N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide is O=[N+]([O-])c1cc(Cl)cc(C=NN/C(=N/c2ccccc2)c2ccccn2)c1O.
What is the InChIKey of N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide?
The InChIKey is ZPWUEOGTVYFDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O3/c20-14-10-13(18(26)17(11-14)25(27)28)12-22-24-19(16-8-4-5-9-21-16)23-15-6-2-1-3-7-15/h1-12,26H,(H,23,24).
What are the key properties of N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide?
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide has a molecular weight of 395.81 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide is sourced from PubChem (CID 3412202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).