5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline

C12H9ClN4O2 — CID 5333447

IUPAC5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(Cl)cc1N/N=C/c1ccncc1
InChIInChI=1S/C12H9ClN4O2/c13-10-1-2-12(17(18)19)11(7-10)16-15-8-9-3-5-14-6-4-9/h1-8,16H/b15-8+
InChIKeyUKYZAIWPKFSLRZ-OVCLIPMQSA-N
MW276.68 g/mol
LogP3.09
Rot. Bonds4

About 5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline

5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline (PubChem CID 5333447) has the molecular formula C12H9ClN4O2 and a molecular weight of 276.68 g/mol. Its IUPAC name is 5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline.

Molecular Properties

Compound Name5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline
PubChem CID5333447
Molecular FormulaC12H9ClN4O2
Molecular Weight276.68 g/mol
Exact Mass276.04
IUPAC Name5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline
SMILESO=[N+]([O-])c1ccc(Cl)cc1N/N=C/c1ccncc1
InChIInChI=1S/C12H9ClN4O2/c13-10-1-2-12(17(18)19)11(7-10)16-15-8-9-3-5-14-6-4-9/h1-8,16H/b15-8+
InChIKeyUKYZAIWPKFSLRZ-OVCLIPMQSA-N
XLogP3.09
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.09
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

(2E)-2-[(5-chloro-2-nitrophenyl)hydrazinylidene]acetic acid
CID 20788456
5-chloro-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 115469594
7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine
CID 45487017
N-bromo-5-chloro-2-nitroaniline
CID 150892624
5-chloro-N-ethenyl-2-nitroaniline
CID 174515367
4-N-(5-chloro-2-nitrophenyl)benzene-1,4-diamine
CID 21327747
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline
CID 9014699
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-nitroaniline
CID 4567165
N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide
CID 71236809
2-(azepan-1-ylsulfonyl)-4-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
CID 6323562
4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol
CID 135608147

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline?
The IUPAC name of 5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline (CID 5333447) is 5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline.
What is the SMILES notation for 5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline?
The canonical SMILES for 5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline is O=[N+]([O-])c1ccc(Cl)cc1N/N=C/c1ccncc1.
What is the InChIKey of 5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline?
The InChIKey is UKYZAIWPKFSLRZ-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H9ClN4O2/c13-10-1-2-12(17(18)19)11(7-10)16-15-8-9-3-5-14-6-4-9/h1-8,16H/b15-8+.
What are the key properties of 5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline?
5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline has a molecular weight of 276.68 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nitro-N-[(E)-pyridin-4-ylmethylideneamino]aniline is sourced from PubChem (CID 5333447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).