4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide

C13H9ClN4O3 — CID 5416780

IUPAC4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClN4O3/c14-11-4-3-10(6-12(11)18(20)21)13(19)17-16-8-9-2-1-5-15-7-9/h1-8H,(H,17,19)/b16-8-
InChIKeyJYYGMWFZPTUTOX-PXNMLYILSA-N
MW304.69 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide

4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide (PubChem CID 5416780) has the molecular formula C13H9ClN4O3 and a molecular weight of 304.69 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
PubChem CID5416780
Molecular FormulaC13H9ClN4O3
Molecular Weight304.69 g/mol
Exact Mass304.04
IUPAC Name4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClN4O3/c14-11-4-3-10(6-12(11)18(20)21)13(19)17-16-8-9-2-1-5-15-7-9/h1-8H,(H,17,19)/b16-8-
InChIKeyJYYGMWFZPTUTOX-PXNMLYILSA-N
XLogP2.41
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
CID 1072497
4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3405547
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
4-chloro-3-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5416771
4-chloro-3-nitro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 3407226
N-(anthracen-9-ylmethylideneamino)-4-chloro-3-nitrobenzamide
CID 3406553
3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine
CID 22285183
2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
N-[(Z)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]pyridine-3-carboxamide
CID 6112984
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
3-bromo-4-methoxy-N-(pyridin-3-ylmethylideneamino)benzamide
CID 681048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide?
The IUPAC name of 4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide (CID 5416780) is 4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide?
The canonical SMILES for 4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is O=C(N/N=C\c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide?
The InChIKey is JYYGMWFZPTUTOX-PXNMLYILSA-N. The full InChI is InChI=1S/C13H9ClN4O3/c14-11-4-3-10(6-12(11)18(20)21)13(19)17-16-8-9-2-1-5-15-7-9/h1-8H,(H,17,19)/b16-8-.
What are the key properties of 4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide?
4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide has a molecular weight of 304.69 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 5416780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).