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

C8H8F3N3O3 — CID 118802984

IUPAC[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCc1cc(OC(F)(F)F)c([N+](=O)[O-])nc1CN
InChIInChI=1S/C8H8F3N3O3/c1-4-2-6(17-8(9,10)11)7(14(15)16)13-5(4)3-12/h2H,3,12H2,1H3
InChIKeyHBHFVNRWYJSXAT-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.66
Rot. Bonds3

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

[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 118802984) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is [3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID118802984
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCc1cc(OC(F)(F)F)c([N+](=O)[O-])nc1CN
InChIInChI=1S/C8H8F3N3O3/c1-4-2-6(17-8(9,10)11)7(14(15)16)13-5(4)3-12/h2H,3,12H2,1H3
InChIKeyHBHFVNRWYJSXAT-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

2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine
CID 118804281
6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023621
[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814494
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
2-[6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118836988
5-methyl-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669587
2-[5-methoxy-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670332
6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134664304
ethyl 2-iodo-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134666793
2-[3-iodo-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678939
3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
CID 118829332
3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine
CID 134678900

Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 118802984) is [3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine is Cc1cc(OC(F)(F)F)c([N+](=O)[O-])nc1CN.
What is the InChIKey of [3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is HBHFVNRWYJSXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c1-4-2-6(17-8(9,10)11)7(14(15)16)13-5(4)3-12/h2H,3,12H2,1H3.
What are the key properties of [3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-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 [3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 118802984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).