3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile

C7H3F3N4O3 — CID 133095287

IUPAC3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(OC(F)(F)F)cnc([N+](=O)[O-])c1N
InChIInChI=1S/C7H3F3N4O3/c8-7(9,10)17-4-2-13-6(14(15)16)5(12)3(4)1-11/h2H,12H2
InChIKeySFIPEFTUKJXTQD-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.34
Rot. Bonds2

About 3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile

3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 133095287) has the molecular formula C7H3F3N4O3 and a molecular weight of 248.12 g/mol. Its IUPAC name is 3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID133095287
Molecular FormulaC7H3F3N4O3
Molecular Weight248.12 g/mol
Exact Mass248.02
IUPAC Name3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(OC(F)(F)F)cnc([N+](=O)[O-])c1N
InChIInChI=1S/C7H3F3N4O3/c8-7(9,10)17-4-2-13-6(14(15)16)5(12)3(4)1-11/h2H,12H2
InChIKeySFIPEFTUKJXTQD-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

4-bromo-2-nitro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118810479
6-amino-2-nitro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096269
2-[4-iodo-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118833139
2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133095290
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 118845540
2-[5-fluoro-6-nitro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134659503
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131468991
2-nitro-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-sulfonamide
CID 134671424
2-[4-amino-3-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118810865
6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096277

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile (CID 133095287) is 3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1c(OC(F)(F)F)cnc([N+](=O)[O-])c1N.
What is the InChIKey of 3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is SFIPEFTUKJXTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N4O3/c8-7(9,10)17-4-2-13-6(14(15)16)5(12)3(4)1-11/h2H,12H2.
What are the key properties of 3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile?
3-amino-2-nitro-5-(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 3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 133095287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).