N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine

C11H7FIN3O2 — CID 69022484

IUPACN-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1Nc1ccc(I)cc1F
InChIInChI=1S/C11H7FIN3O2/c12-8-5-7(13)1-2-9(8)15-10-3-4-14-6-11(10)16(17)18/h1-6H,(H,14,15)
InChIKeyMJPWSDBUJFWWSN-UHFFFAOYSA-N
MW359.10 g/mol
LogP3.48
Rot. Bonds3

About N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine

N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine (PubChem CID 69022484) has the molecular formula C11H7FIN3O2 and a molecular weight of 359.10 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine
PubChem CID69022484
Molecular FormulaC11H7FIN3O2
Molecular Weight359.10 g/mol
Exact Mass358.96
IUPAC NameN-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1Nc1ccc(I)cc1F
InChIInChI=1S/C11H7FIN3O2/c12-8-5-7(13)1-2-9(8)15-10-3-4-14-6-11(10)16(17)18/h1-6H,(H,14,15)
InChIKeyMJPWSDBUJFWWSN-UHFFFAOYSA-N
XLogP3.48
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.10
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N-(2-fluoro-4-nitrophenyl)pyridin-4-amine
CID 157044044
N-(4-methoxy-2-methylphenyl)-3-nitropyridin-4-amine
CID 161454492
N-(4-methoxy-2-methylphenyl)-3-nitropyridin-4-amine
CID 90117018
N-(4-methylsulfonylphenyl)-3-nitropyridin-4-amine
CID 118027362
N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine
CID 10084201
N-(3-nitro-4-pyridinyl)formamide
CID 174895660
1-fluoro-4-iodo-2-nitrobenzene
CID 14590582
[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]thiourea
CID 59026765
N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine
CID 10332195
1-[4-[(3-nitro-4-pyridinyl)amino]phenyl]ethanone;hydrochloride
CID 19791282
2,5-difluoro-N-(3-fluoro-4-pyridinyl)-3-nitrobenzamide
CID 107594868
[4-[(3-nitro-4-pyridinyl)amino]phenyl] acetate
CID 67910376

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine?
The IUPAC name of N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine (CID 69022484) is N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine is O=[N+]([O-])c1cnccc1Nc1ccc(I)cc1F.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine?
The InChIKey is MJPWSDBUJFWWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FIN3O2/c12-8-5-7(13)1-2-9(8)15-10-3-4-14-6-11(10)16(17)18/h1-6H,(H,14,15).
What are the key properties of N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine?
N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine has a molecular weight of 359.10 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 69022484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).