2-fluoro-6-nitroaniline;hydrochloride

C6H6ClFN2O2 — CID 169225840

IUPAC2-fluoro-6-nitroaniline;hydrochloride
SMILESCl.Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C6H5FN2O2.ClH/c7-4-2-1-3-5(6(4)8)9(10)11;/h1-3H,8H2;1H
InChIKeyHLGZAVXXGITDBR-UHFFFAOYSA-N
MW192.58 g/mol
LogP1.74
Rot. Bonds1

About 2-fluoro-6-nitroaniline;hydrochloride

2-fluoro-6-nitroaniline;hydrochloride (PubChem CID 169225840) has the molecular formula C6H6ClFN2O2 and a molecular weight of 192.58 g/mol. Its IUPAC name is 2-fluoro-6-nitroaniline;hydrochloride.

Molecular Properties

Compound Name2-fluoro-6-nitroaniline;hydrochloride
PubChem CID169225840
Molecular FormulaC6H6ClFN2O2
Molecular Weight192.58 g/mol
Exact Mass192.01
IUPAC Name2-fluoro-6-nitroaniline;hydrochloride
SMILESCl.Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C6H5FN2O2.ClH/c7-4-2-1-3-5(6(4)8)9(10)11;/h1-3H,8H2;1H
InChIKeyHLGZAVXXGITDBR-UHFFFAOYSA-N
XLogP1.74
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.58
LogP ≤ 51.74
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

2-chloro-1-(18F)fluoro-3-nitrobenzene
CID 151209633
2-nitro-6-(trifluoromethyl)aniline
CID 10703457
(2-fluoro-6-nitrophenyl)hydrazine
CID 81310893
2-(5-fluorothiophen-2-yl)-6-nitroaniline
CID 118915135
3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline
CID 175739955
2-ethynyl-6-nitroaniline
CID 129104690
1-(2-fluoro-6-nitrophenyl)ethanamine
CID 55282277
2-nitroaniline;dihydrochloride
CID 69408891
2-nitro-6-(2,2,2-trifluoroethyl)aniline
CID 121415761
2-fluoro-6-nitrobenzoic acid
CID 603758
cyclopropanamine;1-fluoro-2-nitrobenzene
CID 157106778
N,2-difluoro-N-methyl-6-nitroaniline
CID 174676085

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-nitroaniline;hydrochloride?
The IUPAC name of 2-fluoro-6-nitroaniline;hydrochloride (CID 169225840) is 2-fluoro-6-nitroaniline;hydrochloride.
What is the SMILES notation for 2-fluoro-6-nitroaniline;hydrochloride?
The canonical SMILES for 2-fluoro-6-nitroaniline;hydrochloride is Cl.Nc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 2-fluoro-6-nitroaniline;hydrochloride?
The InChIKey is HLGZAVXXGITDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2.ClH/c7-4-2-1-3-5(6(4)8)9(10)11;/h1-3H,8H2;1H.
What are the key properties of 2-fluoro-6-nitroaniline;hydrochloride?
2-fluoro-6-nitroaniline;hydrochloride has a molecular weight of 192.58 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-nitroaniline;hydrochloride is sourced from PubChem (CID 169225840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).