4-chloro-5-fluoro-2-nitroaniline

C6H4ClFN2O2 — CID 10465141

IUPAC4-chloro-5-fluoro-2-nitroaniline
SMILESNc1cc(F)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClFN2O2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H,9H2
InChIKeyIVUBVUIBVDTNAT-UHFFFAOYSA-N
MW190.56 g/mol
LogP1.97
Rot. Bonds1

About 4-chloro-5-fluoro-2-nitroaniline

4-chloro-5-fluoro-2-nitroaniline (PubChem CID 10465141) has the molecular formula C6H4ClFN2O2 and a molecular weight of 190.56 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-nitroaniline.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-nitroaniline
PubChem CID10465141
Molecular FormulaC6H4ClFN2O2
Molecular Weight190.56 g/mol
Exact Mass189.99
IUPAC Name4-chloro-5-fluoro-2-nitroaniline
SMILESNc1cc(F)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C6H4ClFN2O2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H,9H2
InChIKeyIVUBVUIBVDTNAT-UHFFFAOYSA-N
XLogP1.97
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-chloro-2,5-difluoroaniline;1-chloro-2,5-difluoro-4-nitrobenzene;ethanol
CID 158430373
4-chloro-5-fluoro-2-nitrobenzenesulfonamide
CID 66077255
1-chloro-2-fluoro-5-iodo-4-nitrobenzene
CID 131559689
4-amino-2-fluoro-5-nitrobenzoate
CID 59785336
(4-chloro-5-fluoro-2-nitrophenyl)methanol
CID 91619131
4-chloro-2-nitroaniline
CID 6979
3-(4-chloro-5-fluoro-2-nitrophenyl)butan-2-amine
CID 66079416
1-N-(4-chloro-5-fluoro-2-nitrophenyl)-2-methylpropane-1,2-diamine
CID 113282802
4-chloro-5-(2,2-difluoroethoxy)-2-nitroaniline
CID 147350893
1-(4-chloro-5-fluoro-2-nitrophenyl)propan-2-one
CID 66077079
1-chloro-4-[chloro(difluoro)methoxy]-2-fluoro-5-nitrobenzene
CID 71669366
2-bromo-5-fluoro-4-nitroaniline
CID 57488513

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-nitroaniline?
The IUPAC name of 4-chloro-5-fluoro-2-nitroaniline (CID 10465141) is 4-chloro-5-fluoro-2-nitroaniline.
What is the SMILES notation for 4-chloro-5-fluoro-2-nitroaniline?
The canonical SMILES for 4-chloro-5-fluoro-2-nitroaniline is Nc1cc(F)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-5-fluoro-2-nitroaniline?
The InChIKey is IVUBVUIBVDTNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H,9H2.
What are the key properties of 4-chloro-5-fluoro-2-nitroaniline?
4-chloro-5-fluoro-2-nitroaniline has a molecular weight of 190.56 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-nitroaniline is sourced from PubChem (CID 10465141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).