3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine

C11H9FIN3O3 — CID 161114668

IUPAC3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine
SMILESNC1N=CC=CC1(I)Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H9FIN3O3/c12-8-6-7(16(17)18)2-3-9(8)19-11(13)4-1-5-15-10(11)14/h1-6,10H,14H2
InChIKeyLJKDHXQLXWTIAG-UHFFFAOYSA-N
MW377.11 g/mol
LogP2.17
Rot. Bonds3

About 3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine

3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine (PubChem CID 161114668) has the molecular formula C11H9FIN3O3 and a molecular weight of 377.11 g/mol. Its IUPAC name is 3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine
PubChem CID161114668
Molecular FormulaC11H9FIN3O3
Molecular Weight377.11 g/mol
Exact Mass376.97
IUPAC Name3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine
SMILESNC1N=CC=CC1(I)Oc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H9FIN3O3/c12-8-6-7(16(17)18)2-3-9(8)19-11(13)4-1-5-15-10(11)14/h1-6,10H,14H2
InChIKeyLJKDHXQLXWTIAG-UHFFFAOYSA-N
XLogP2.17
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.11
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61038317
cis-(1S,2R)-4,4-difluoro-2-(2-fluoro-4-nitrophenoxy)cyclopentan-1-ol
CID 139548238
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
trans-bis(2-fluoro-4-nitrophenyl) (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 156761766
3-(2,4-dichlorophenyl)-3-(2-fluoro-4-nitrophenoxy)oxetane
CID 118455905
6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80871675
4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
CID 143321178
4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 107016673
4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine
CID 59852937
6-(2-fluoro-4-nitrophenoxy)pyridin-2-amine
CID 80653072
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine?
The IUPAC name of 3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine (CID 161114668) is 3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine.
What is the SMILES notation for 3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine?
The canonical SMILES for 3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine is NC1N=CC=CC1(I)Oc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine?
The InChIKey is LJKDHXQLXWTIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FIN3O3/c12-8-6-7(16(17)18)2-3-9(8)19-11(13)4-1-5-15-10(11)14/h1-6,10H,14H2.
What are the key properties of 3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine?
3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine has a molecular weight of 377.11 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-nitrophenoxy)-3-iodo-2H-pyridin-2-amine is sourced from PubChem (CID 161114668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).