4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine

C7H7F3N4O3 — CID 119009076

IUPAC4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine
SMILESNCc1cc([N+](=O)[O-])nc(N)c1OC(F)(F)F
InChIInChI=1S/C7H7F3N4O3/c8-7(9,10)17-5-3(2-11)1-4(14(15)16)13-6(5)12/h1H,2,11H2,(H2,12,13)
InChIKeyMVIMSARLBXCFOX-UHFFFAOYSA-N
MW252.15 g/mol
LogP0.93
Rot. Bonds3

About 4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine

4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119009076) has the molecular formula C7H7F3N4O3 and a molecular weight of 252.15 g/mol. Its IUPAC name is 4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID119009076
Molecular FormulaC7H7F3N4O3
Molecular Weight252.15 g/mol
Exact Mass252.05
IUPAC Name4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine
SMILESNCc1cc([N+](=O)[O-])nc(N)c1OC(F)(F)F
InChIInChI=1S/C7H7F3N4O3/c8-7(9,10)17-5-3(2-11)1-4(14(15)16)13-6(5)12/h1H,2,11H2,(H2,12,13)
InChIKeyMVIMSARLBXCFOX-UHFFFAOYSA-N
XLogP0.93
TPSA117.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 50.93
H-Bond Donors ≤ 52
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

2-amino-6-nitro-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119003073
4-(aminomethyl)-6-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119018318
[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814494
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085817
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 134666814
[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666889
[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134679983
2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine
CID 118809105
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 134660014
3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
CID 118829332

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine (CID 119009076) is 4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine is NCc1cc([N+](=O)[O-])nc(N)c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is MVIMSARLBXCFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O3/c8-7(9,10)17-5-3(2-11)1-4(14(15)16)13-6(5)12/h1H,2,11H2,(H2,12,13).
What are the key properties of 4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine?
4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 252.15 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119009076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).