2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline

C12H9ClF2N4O2 — CID 83075238

IUPAC2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
SMILESNNc1cc(Nc2c(F)cc(F)cc2Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H9ClF2N4O2/c13-10-1-6(14)2-11(15)12(10)17-7-3-8(18-16)5-9(4-7)19(20)21/h1-5,17-18H,16H2
InChIKeyFCXWBCNOXQKXPX-UHFFFAOYSA-N
MW314.68 g/mol
LogP3.56
Rot. Bonds4

About 2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline

2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline (PubChem CID 83075238) has the molecular formula C12H9ClF2N4O2 and a molecular weight of 314.68 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
PubChem CID83075238
Molecular FormulaC12H9ClF2N4O2
Molecular Weight314.68 g/mol
Exact Mass314.04
IUPAC Name2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
SMILESNNc1cc(Nc2c(F)cc(F)cc2Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H9ClF2N4O2/c13-10-1-6(14)2-11(15)12(10)17-7-3-8(18-16)5-9(4-7)19(20)21/h1-5,17-18H,16H2
InChIKeyFCXWBCNOXQKXPX-UHFFFAOYSA-N
XLogP3.56
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.68
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107645553
3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107576838
3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928323
3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928854
N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
CID 107368860
2,6-dichloro-N-(3-chloro-4-fluorophenyl)-4-nitroaniline
CID 106891417
2-chloro-4,6-difluoro-N-[(4-nitrophenyl)methyl]aniline
CID 82890271
2-fluoro-6-(3-hydrazinyl-5-nitroanilino)benzonitrile
CID 80898392
[3-(3-chloro-4-fluorophenoxy)-5-nitrophenyl]hydrazine
CID 80921755
6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine
CID 83083529
5-chloro-N-(3-hydrazinyl-5-nitrophenyl)-2-methoxyaniline
CID 80911480
N-[2-(4-chlorophenyl)ethyl]-3-hydrazinyl-5-nitroaniline
CID 80899206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline (CID 83075238) is 2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline is NNc1cc(Nc2c(F)cc(F)cc2Cl)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
The InChIKey is FCXWBCNOXQKXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N4O2/c13-10-1-6(14)2-11(15)12(10)17-7-3-8(18-16)5-9(4-7)19(20)21/h1-5,17-18H,16H2.
What are the key properties of 2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline?
2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline has a molecular weight of 314.68 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline is sourced from PubChem (CID 83075238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).