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

C8H8F3N3O3 — CID 134678733

IUPAC[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCc1cc(CN)c(OC(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C8H8F3N3O3/c1-4-2-5(3-12)7(17-8(9,10)11)13-6(4)14(15)16/h2H,3,12H2,1H3
InChIKeyMDJVVYPDRHEFKQ-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.66
Rot. Bonds3

About [5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine

[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 134678733) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is [5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID134678733
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCc1cc(CN)c(OC(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C8H8F3N3O3/c1-4-2-5(3-12)7(17-8(9,10)11)13-6(4)14(15)16/h2H,3,12H2,1H3
InChIKeyMDJVVYPDRHEFKQ-UHFFFAOYSA-N
XLogP1.66
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.66
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

5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 134660014
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
5-methyl-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118812911
ethyl 5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134682536
methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133085573
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666889
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577
5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669587
3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine
CID 134680023
3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
CID 118829332
[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814494

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 134678733) is [5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine is Cc1cc(CN)c(OC(F)(F)F)nc1[N+](=O)[O-].
What is the InChIKey of [5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is MDJVVYPDRHEFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c1-4-2-5(3-12)7(17-8(9,10)11)13-6(4)14(15)16/h2H,3,12H2,1H3.
What are the key properties of [5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 251.16 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 134678733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).