[4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine

C7H6F3N3O3 — CID 133085678

IUPAC[4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc([N+](=O)[O-])c(OC(F)(F)F)cn1
InChIInChI=1S/C7H6F3N3O3/c8-7(9,10)16-6-3-12-4(2-11)1-5(6)13(14)15/h1,3H,2,11H2
InChIKeyOQBBGUOFOHEVEP-UHFFFAOYSA-N
MW237.14 g/mol
LogP1.35
Rot. Bonds3

About [4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine

[4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 133085678) has the molecular formula C7H6F3N3O3 and a molecular weight of 237.14 g/mol. Its IUPAC name is [4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID133085678
Molecular FormulaC7H6F3N3O3
Molecular Weight237.14 g/mol
Exact Mass237.04
IUPAC Name[4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc([N+](=O)[O-])c(OC(F)(F)F)cn1
InChIInChI=1S/C7H6F3N3O3/c8-7(9,10)16-6-3-12-4(2-11)1-5(6)13(14)15/h1,3H,2,11H2
InChIKeyOQBBGUOFOHEVEP-UHFFFAOYSA-N
XLogP1.35
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 51.35
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-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118837036
[4-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118814251
2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine
CID 134664818
3-nitro-4-(trifluoromethoxy)benzenethiol
CID 171028791
1-ethoxy-4-nitro-5-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171003917
4-(fluoromethyl)-3-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 118845540
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134679983
[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666889
[3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118836974
2-(fluoromethyl)-1-nitro-3-(trifluoromethoxy)benzene
CID 170837030
ethyl 2-methyl-4-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134662332

Frequently Asked Questions

What is the IUPAC name of [4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 133085678) is [4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine is NCc1cc([N+](=O)[O-])c(OC(F)(F)F)cn1.
What is the InChIKey of [4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is OQBBGUOFOHEVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O3/c8-7(9,10)16-6-3-12-4(2-11)1-5(6)13(14)15/h1,3H,2,11H2.
What are the key properties of [4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine?
[4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 237.14 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 133085678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).