N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine

C12H12FN5O3 — CID 114841187

IUPACN-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCOc1cc(Nc2nc(NN)ccc2[N+](=O)[O-])ccc1F
InChIInChI=1S/C12H12FN5O3/c1-21-10-6-7(2-3-8(10)13)15-12-9(18(19)20)4-5-11(16-12)17-14/h2-6H,14H2,1H3,(H2,15,16,17)
InChIKeyXIDMXECCFAISBD-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.17
Rot. Bonds5

About N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine

N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 114841187) has the molecular formula C12H12FN5O3 and a molecular weight of 293.26 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID114841187
Molecular FormulaC12H12FN5O3
Molecular Weight293.26 g/mol
Exact Mass293.09
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCOc1cc(Nc2nc(NN)ccc2[N+](=O)[O-])ccc1F
InChIInChI=1S/C12H12FN5O3/c1-21-10-6-7(2-3-8(10)13)15-12-9(18(19)20)4-5-11(16-12)17-14/h2-6H,14H2,1H3,(H2,15,16,17)
InChIKeyXIDMXECCFAISBD-UHFFFAOYSA-N
XLogP2.17
TPSA115.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107623697
N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80912402
N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 82802019
N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976084
N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80923986
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine
CID 80805285
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80928418
2-N-(4-fluoro-2-methoxyphenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80785711
2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80760716
N-(4-fluorophenyl)-3-methoxy-4-nitroaniline
CID 165348720
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107639593

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine (CID 114841187) is N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine is COc1cc(Nc2nc(NN)ccc2[N+](=O)[O-])ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is XIDMXECCFAISBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O3/c1-21-10-6-7(2-3-8(10)13)15-12-9(18(19)20)4-5-11(16-12)17-14/h2-6H,14H2,1H3,(H2,15,16,17).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 293.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 114841187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).