2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine

C12H10F2N4O3 — CID 80729028

IUPAC2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine
SMILESNc1ccc([N+](=O)[O-])c(Nc2ccccc2OC(F)F)n1
InChIInChI=1S/C12H10F2N4O3/c13-12(14)21-9-4-2-1-3-7(9)16-11-8(18(19)20)5-6-10(15)17-11/h1-6,12H,(H3,15,16,17)
InChIKeyXNQNALCESIYJDD-UHFFFAOYSA-N
MW296.23 g/mol
LogP2.92
Rot. Bonds5

About 2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine

2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine (PubChem CID 80729028) has the molecular formula C12H10F2N4O3 and a molecular weight of 296.23 g/mol. Its IUPAC name is 2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine
PubChem CID80729028
Molecular FormulaC12H10F2N4O3
Molecular Weight296.23 g/mol
Exact Mass296.07
IUPAC Name2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine
SMILESNc1ccc([N+](=O)[O-])c(Nc2ccccc2OC(F)F)n1
InChIInChI=1S/C12H10F2N4O3/c13-12(14)21-9-4-2-1-3-7(9)16-11-8(18(19)20)5-6-10(15)17-11/h1-6,12H,(H3,15,16,17)
InChIKeyXNQNALCESIYJDD-UHFFFAOYSA-N
XLogP2.92
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
CID 43330241
2-N-isoquinolin-8-yl-3-nitropyridine-2,6-diamine
CID 80840181
2-N-(4-bromo-2-fluorophenyl)-3-nitropyridine-2,6-diamine
CID 80759954
N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80911491
3-nitro-2-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,6-diamine
CID 107647104
2-N-(3-chloro-5-fluorophenyl)-3-nitropyridine-2,6-diamine
CID 107371066
6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
CID 43330240
2-[(6-amino-3-nitro-2-pyridinyl)amino]-5-bromobenzonitrile
CID 82713499
3-nitro-2-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 80759844
1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
CID 131855225
2-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridine-2,6-diamine
CID 102908827
2-N-(4-bromo-2-ethylphenyl)-3-nitropyridine-2,6-diamine
CID 81289863

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine (CID 80729028) is 2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine is Nc1ccc([N+](=O)[O-])c(Nc2ccccc2OC(F)F)n1.
What is the InChIKey of 2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine?
The InChIKey is XNQNALCESIYJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O3/c13-12(14)21-9-4-2-1-3-7(9)16-11-8(18(19)20)5-6-10(15)17-11/h1-6,12H,(H3,15,16,17).
What are the key properties of 2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine?
2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine has a molecular weight of 296.23 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(difluoromethoxy)phenyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80729028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).