[3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine

C7H6F3N3O3 — CID 118836974

IUPAC[3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1nc(OC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O3/c8-7(9,10)16-6-2-1-5(13(14)15)4(3-11)12-6/h1-2H,3,11H2
InChIKeyCQUJYKIIMIQVOK-UHFFFAOYSA-N
MW237.14 g/mol
LogP1.35
Rot. Bonds3

About [3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine

[3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 118836974) has the molecular formula C7H6F3N3O3 and a molecular weight of 237.14 g/mol. Its IUPAC name is [3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID118836974
Molecular FormulaC7H6F3N3O3
Molecular Weight237.14 g/mol
Exact Mass237.04
IUPAC Name[3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1nc(OC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O3/c8-7(9,10)16-6-2-1-5(13(14)15)4(3-11)12-6/h1-2H,3,11H2
InChIKeyCQUJYKIIMIQVOK-UHFFFAOYSA-N
XLogP1.35
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 51.35
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-[3-iodo-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134666760
3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
CID 118829332
2-nitro-6-(trifluoromethoxy)pyridine
CID 130088847
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
[4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 133085678
2-[3-hydroxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134679216
3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 135353115
[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666889
[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814494
[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089420
[2-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093233
2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 118832466

Frequently Asked Questions

What is the IUPAC name of [3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 118836974) is [3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine is NCc1nc(OC(F)(F)F)ccc1[N+](=O)[O-].
What is the InChIKey of [3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is CQUJYKIIMIQVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O3/c8-7(9,10)16-6-2-1-5(13(14)15)4(3-11)12-6/h1-2H,3,11H2.
What are the key properties of [3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
[3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 237.14 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 118836974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).