4-nitro-5-(trifluoromethoxy)pyridin-3-amine

C6H4F3N3O3 — CID 19034620

IUPAC4-nitro-5-(trifluoromethoxy)pyridin-3-amine
SMILESNc1cncc(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H4F3N3O3/c7-6(8,9)15-4-2-11-1-3(10)5(4)12(13)14/h1-2H,10H2
InChIKeyAFLDVGCUUNKZSR-UHFFFAOYSA-N
MW223.11 g/mol
LogP1.47
Rot. Bonds2

About 4-nitro-5-(trifluoromethoxy)pyridin-3-amine

4-nitro-5-(trifluoromethoxy)pyridin-3-amine (PubChem CID 19034620) has the molecular formula C6H4F3N3O3 and a molecular weight of 223.11 g/mol. Its IUPAC name is 4-nitro-5-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name4-nitro-5-(trifluoromethoxy)pyridin-3-amine
PubChem CID19034620
Molecular FormulaC6H4F3N3O3
Molecular Weight223.11 g/mol
Exact Mass223.02
IUPAC Name4-nitro-5-(trifluoromethoxy)pyridin-3-amine
SMILESNc1cncc(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C6H4F3N3O3/c7-6(8,9)15-4-2-11-1-3(10)5(4)12(13)14/h1-2H,10H2
InChIKeyAFLDVGCUUNKZSR-UHFFFAOYSA-N
XLogP1.47
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine
CID 134664818
3-iodo-4-nitro-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134681097
4-nitro-2-(trifluoromethoxy)aniline
CID 56973585
5-amino-4-nitropyridine-3-carbonitrile
CID 19034852
2-(bromomethyl)-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134678331
ethyl 2-methyl-4-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134662332
ethyl 3-hydroxy-4-nitro-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680855
4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118818649
[2-methoxy-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134670161
4-bromo-2-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine
CID 118845681
4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine
CID 134678852
4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118799511

Frequently Asked Questions

What is the IUPAC name of 4-nitro-5-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 4-nitro-5-(trifluoromethoxy)pyridin-3-amine (CID 19034620) is 4-nitro-5-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 4-nitro-5-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 4-nitro-5-(trifluoromethoxy)pyridin-3-amine is Nc1cncc(OC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 4-nitro-5-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is AFLDVGCUUNKZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O3/c7-6(8,9)15-4-2-11-1-3(10)5(4)12(13)14/h1-2H,10H2.
What are the key properties of 4-nitro-5-(trifluoromethoxy)pyridin-3-amine?
4-nitro-5-(trifluoromethoxy)pyridin-3-amine has a molecular weight of 223.11 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-5-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 19034620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).