N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine

C12H11F2N5O2 — CID 82802019

IUPACN-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCc1ccc(F)c(Nc2nc(NN)ccc2[N+](=O)[O-])c1F
InChIInChI=1S/C12H11F2N5O2/c1-6-2-3-7(13)11(10(6)14)17-12-8(19(20)21)4-5-9(16-12)18-15/h2-5H,15H2,1H3,(H2,16,17,18)
InChIKeyFJYCRTSXFPEDNJ-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.61
Rot. Bonds4

About N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine

N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 82802019) has the molecular formula C12H11F2N5O2 and a molecular weight of 295.25 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID82802019
Molecular FormulaC12H11F2N5O2
Molecular Weight295.25 g/mol
Exact Mass295.09
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCc1ccc(F)c(Nc2nc(NN)ccc2[N+](=O)[O-])c1F
InChIInChI=1S/C12H11F2N5O2/c1-6-2-3-7(13)11(10(6)14)17-12-8(19(20)21)4-5-9(16-12)18-15/h2-5H,15H2,1H3,(H2,16,17,18)
InChIKeyFJYCRTSXFPEDNJ-UHFFFAOYSA-N
XLogP2.61
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 52.61
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

N-(4-bromo-2,6-difluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80923986
N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114841187
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107639593
N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80912402
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 114175800
2-N-(5-fluoro-2-methylphenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80762064
6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine
CID 80805285
4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80908944
3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine
CID 107647104
6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine
CID 80927069
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine (CID 82802019) is N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine is Cc1ccc(F)c(Nc2nc(NN)ccc2[N+](=O)[O-])c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is FJYCRTSXFPEDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O2/c1-6-2-3-7(13)11(10(6)14)17-12-8(19(20)21)4-5-9(16-12)18-15/h2-5H,15H2,1H3,(H2,16,17,18).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine?
N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 295.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 82802019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).