[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine

C8H8F3N3O3 — CID 134679983

IUPAC[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCc1ncc(CN)c([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c1-4-7(17-8(9,10)11)6(14(15)16)5(2-12)3-13-4/h3H,2,12H2,1H3
InChIKeyXXLLMPFBGBZFFI-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.66
Rot. Bonds3

About [6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine

[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 134679983) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is [6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID134679983
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCc1ncc(CN)c([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c1-4-7(17-8(9,10)11)6(14(15)16)5(2-12)3-13-4/h3H,2,12H2,1H3
InChIKeyXXLLMPFBGBZFFI-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

6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 130111846
[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134677550
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662278
ethyl 2-[4-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659980
[4-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112958
6-methyl-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134662373
ethyl 2-[2-methyl-5-nitro-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134671389
[5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134672505
methyl 5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085417
ethyl 2-methyl-5-nitro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134662340
5-(aminomethyl)-3-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 134680634
5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023642

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 134679983) is [6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine is Cc1ncc(CN)c([N+](=O)[O-])c1OC(F)(F)F.
What is the InChIKey of [6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is XXLLMPFBGBZFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c1-4-7(17-8(9,10)11)6(14(15)16)5(2-12)3-13-4/h3H,2,12H2,1H3.
What are the key properties of [6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
[6-methyl-4-nitro-5-(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 [6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 134679983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).