5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol

C7H6F3N3O4 — CID 134660014

IUPAC5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
SMILESNCc1cc(O)c(OC(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O4/c8-7(9,10)17-6-4(14)1-3(2-11)5(12-6)13(15)16/h1,14H,2,11H2
InChIKeyVOSGWLXTCRWYEX-UHFFFAOYSA-N
MW253.14 g/mol
LogP1.05
Rot. Bonds3

About 5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol

5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol (PubChem CID 134660014) has the molecular formula C7H6F3N3O4 and a molecular weight of 253.14 g/mol. Its IUPAC name is 5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
PubChem CID134660014
Molecular FormulaC7H6F3N3O4
Molecular Weight253.14 g/mol
Exact Mass253.03
IUPAC Name5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
SMILESNCc1cc(O)c(OC(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O4/c8-7(9,10)17-6-4(14)1-3(2-11)5(12-6)13(15)16/h1,14H,2,11H2
InChIKeyVOSGWLXTCRWYEX-UHFFFAOYSA-N
XLogP1.05
TPSA111.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 51.05
H-Bond Donors ≤ 52
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

[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134664491
6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 118838420
[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666889
6-(aminomethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-3-ol
CID 134680204
[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134667507
2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118804931
[6-methoxy-2-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134677932
3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
CID 118829332
4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 118829972
5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680784
ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134682536

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol (CID 134660014) is 5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol is NCc1cc(O)c(OC(F)(F)F)nc1[N+](=O)[O-].
What is the InChIKey of 5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is VOSGWLXTCRWYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O4/c8-7(9,10)17-6-4(14)1-3(2-11)5(12-6)13(15)16/h1,14H,2,11H2.
What are the key properties of 5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol?
5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 253.14 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 134660014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).