5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline

C13H13ClN4O3 — CID 80911480

IUPAC5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H13ClN4O3/c1-21-13-3-2-8(14)4-12(13)16-9-5-10(17-15)7-11(6-9)18(19)20/h2-7,16-17H,15H2,1H3
InChIKeyUZMLWXGLMCSRBP-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.29
Rot. Bonds5

About 5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline

5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline (PubChem CID 80911480) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline
PubChem CID80911480
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1Nc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H13ClN4O3/c1-21-13-3-2-8(14)4-12(13)16-9-5-10(17-15)7-11(6-9)18(19)20/h2-7,16-17H,15H2,1H3
InChIKeyUZMLWXGLMCSRBP-UHFFFAOYSA-N
XLogP3.29
TPSA102.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80912402
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928323
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
4-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-methylaniline
CID 80919959
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488
methyl 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-nitrobenzoate
CID 1279641
4-N-(5-chloro-2-methoxyphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine
CID 23484648
1-(2,5-dichlorophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108886216
(5-chloro-2-methoxyphenyl)hydrazine;oxalic acid
CID 175007834
3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928854

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline?
The IUPAC name of 5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline (CID 80911480) is 5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline is COc1ccc(Cl)cc1Nc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline?
The InChIKey is UZMLWXGLMCSRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-21-13-3-2-8(14)4-12(13)16-9-5-10(17-15)7-11(6-9)18(19)20/h2-7,16-17H,15H2,1H3.
What are the key properties of 5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline?
5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline has a molecular weight of 308.73 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline is sourced from PubChem (CID 80911480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).