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

C8H8F3N3O3 — CID 118814494

IUPAC[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCc1cc([N+](=O)[O-])nc(CN)c1OC(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c1-4-2-6(14(15)16)13-5(3-12)7(4)17-8(9,10)11/h2H,3,12H2,1H3
InChIKeyHRUDWHQDRIKSTC-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.66
Rot. Bonds3

About [4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine

[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 118814494) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is [4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID118814494
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCc1cc([N+](=O)[O-])nc(CN)c1OC(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c1-4-2-6(14(15)16)13-5(3-12)7(4)17-8(9,10)11/h2H,3,12H2,1H3
InChIKeyHRUDWHQDRIKSTC-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

[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine
CID 119009076
3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine
CID 134680023
4-methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111828
2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine
CID 118809105
ethyl 4-methyl-6-nitro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677654
4-methoxy-2-methyl-6-nitro-3-(trifluoromethoxy)pyridine
CID 134668132
[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine
CID 118814451
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118831271
2-amino-6-nitro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119003073
2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine
CID 118826412

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 118814494) is [4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine is Cc1cc([N+](=O)[O-])nc(CN)c1OC(F)(F)F.
What is the InChIKey of [4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is HRUDWHQDRIKSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c1-4-2-6(14(15)16)13-5(3-12)7(4)17-8(9,10)11/h2H,3,12H2,1H3.
What are the key properties of [4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
[4-methyl-6-nitro-3-(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 [4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 118814494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).