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

C7H3F3N4O3 — CID 133096277

IUPAC6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c([N+](=O)[O-])cc(N)nc1OC(F)(F)F
InChIInChI=1S/C7H3F3N4O3/c8-7(9,10)17-6-3(2-11)4(14(15)16)1-5(12)13-6/h1H,(H2,12,13)
InChIKeyYIKMFPBOZIXNBN-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.34
Rot. Bonds2

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

6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 133096277) has the molecular formula C7H3F3N4O3 and a molecular weight of 248.12 g/mol. Its IUPAC name is 6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID133096277
Molecular FormulaC7H3F3N4O3
Molecular Weight248.12 g/mol
Exact Mass248.02
IUPAC Name6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c([N+](=O)[O-])cc(N)nc1OC(F)(F)F
InChIInChI=1S/C7H3F3N4O3/c8-7(9,10)17-6-3(2-11)4(14(15)16)1-5(12)13-6/h1H,(H2,12,13)
InChIKeyYIKMFPBOZIXNBN-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

6-amino-2-nitro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096269
6-amino-3-cyano-2-(trifluoromethoxy)pyridine-4-sulfonamide
CID 133096268
6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131504220
6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131612363
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572
2-amino-3-nitro-6-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025074
6-bromo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096300
2-amino-6-nitro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119003073
2-iodo-5-nitro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679777
[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666889
3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095287
2-[2-methoxy-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666404

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile (CID 133096277) is 6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c([N+](=O)[O-])cc(N)nc1OC(F)(F)F.
What is the InChIKey of 6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is YIKMFPBOZIXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N4O3/c8-7(9,10)17-6-3(2-11)4(14(15)16)1-5(12)13-6/h1H,(H2,12,13).
What are the key properties of 6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile?
6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-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 6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 133096277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).