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

C8H8F3N3O4 — CID 134677550

IUPAC[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCOc1c(CN)cnc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C8H8F3N3O4/c1-17-5-4(2-12)3-13-7(14(15)16)6(5)18-8(9,10)11/h3H,2,12H2,1H3
InChIKeyIPGOREBCBVTFDC-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.36
Rot. Bonds4

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

[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 134677550) has the molecular formula C8H8F3N3O4 and a molecular weight of 267.16 g/mol. Its IUPAC name is [4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID134677550
Molecular FormulaC8H8F3N3O4
Molecular Weight267.16 g/mol
Exact Mass267.05
IUPAC Name[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCOc1c(CN)cnc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C8H8F3N3O4/c1-17-5-4(2-12)3-13-7(14(15)16)6(5)18-8(9,10)11/h3H,2,12H2,1H3
InChIKeyIPGOREBCBVTFDC-UHFFFAOYSA-N
XLogP1.36
TPSA100.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
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

ethyl 2-[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668278
ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670205
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 118829972
[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134679983
ethyl 2-[4-fluoro-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664857
3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134679652
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
CID 133100289
ethyl 5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670328
methyl 5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085417
4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
CID 134672786
2-[5-fluoro-6-nitro-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134659503

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 134677550) is [4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine is COc1c(CN)cnc([N+](=O)[O-])c1OC(F)(F)F.
What is the InChIKey of [4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is IPGOREBCBVTFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O4/c1-17-5-4(2-12)3-13-7(14(15)16)6(5)18-8(9,10)11/h3H,2,12H2,1H3.
What are the key properties of [4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine?
[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine has a molecular weight of 267.16 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 134677550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).