2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile

C7H3F3N4O3 — CID 119025074

IUPAC2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F3N4O3/c8-7(9,10)17-4-1-3(2-11)5(14(15)16)6(12)13-4/h1H,(H2,12,13)
InChIKeyIHHBPSQGMYUNIE-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.34
Rot. Bonds2

About 2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile

2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 119025074) has the molecular formula C7H3F3N4O3 and a molecular weight of 248.12 g/mol. Its IUPAC name is 2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID119025074
Molecular FormulaC7H3F3N4O3
Molecular Weight248.12 g/mol
Exact Mass248.02
IUPAC Name2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F3N4O3/c8-7(9,10)17-4-1-3(2-11)5(14(15)16)6(12)13-4/h1H,(H2,12,13)
InChIKeyIHHBPSQGMYUNIE-UHFFFAOYSA-N
XLogP1.34
TPSA115.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.34
H-Bond Donors ≤ 51
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

2-amino-6-nitro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119003073
2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119014677
2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095435
4-bromo-2-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)pyridine
CID 118816776
2-[3-iodo-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134666760
2-[3-hydroxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134679216
6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096277
6-amino-2-nitro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096269
2-bromo-3-iodo-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118999882
4-methyl-3-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134682178
2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine
CID 118837547
2-iodo-3-nitro-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134678317

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile (CID 119025074) is 2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1cc(OC(F)(F)F)nc(N)c1[N+](=O)[O-].
What is the InChIKey of 2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is IHHBPSQGMYUNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N4O3/c8-7(9,10)17-4-1-3(2-11)5(14(15)16)6(12)13-4/h1H,(H2,12,13).
What are the key properties of 2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile?
2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 248.12 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 119025074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).