N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine

C11H9F2N5O2 — CID 114071519

IUPACN-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine
SMILESNNc1cc([N+](=O)[O-])cc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H9F2N5O2/c12-8-2-1-6(3-9(8)13)15-10-4-7(18(19)20)5-11(16-10)17-14/h1-5H,14H2,(H2,15,16,17)
InChIKeyMSHCKWGZBJEKAB-UHFFFAOYSA-N
MW281.22 g/mol
LogP2.30
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine

N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine (PubChem CID 114071519) has the molecular formula C11H9F2N5O2 and a molecular weight of 281.22 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine
PubChem CID114071519
Molecular FormulaC11H9F2N5O2
Molecular Weight281.22 g/mol
Exact Mass281.07
IUPAC NameN-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine
SMILESNNc1cc([N+](=O)[O-])cc(Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H9F2N5O2/c12-8-2-1-6(3-9(8)13)15-10-4-7(18(19)20)5-11(16-10)17-14/h1-5H,14H2,(H2,15,16,17)
InChIKeyMSHCKWGZBJEKAB-UHFFFAOYSA-N
XLogP2.30
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928323
3-N-(3,4-difluorophenyl)-5-nitrobenzene-1,3-diamine
CID 80762616
N-(3,4-difluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976897
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 80908581
2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one
CID 135465852
4-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 2960519
3,4-difluoro-N-(2-nitrophenyl)aniline
CID 59560768
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114841187
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine (CID 114071519) is N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine is NNc1cc([N+](=O)[O-])cc(Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine?
The InChIKey is MSHCKWGZBJEKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N5O2/c12-8-2-1-6(3-9(8)13)15-10-4-7(18(19)20)5-11(16-10)17-14/h1-5H,14H2,(H2,15,16,17).
What are the key properties of N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine?
N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine has a molecular weight of 281.22 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-hydrazinyl-4-nitropyridin-2-amine is sourced from PubChem (CID 114071519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).