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

C7H7F3N4O3 — CID 118829332

IUPAC3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
SMILESNCc1c(N)cc(OC(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H7F3N4O3/c8-7(9,10)17-5-1-4(12)3(2-11)6(13-5)14(15)16/h1H,2,11H2,(H2,12,13)
InChIKeyRRUCHFNWSLJQGQ-UHFFFAOYSA-N
MW252.15 g/mol
LogP0.93
Rot. Bonds3

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

3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine (PubChem CID 118829332) has the molecular formula C7H7F3N4O3 and a molecular weight of 252.15 g/mol. Its IUPAC name is 3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
PubChem CID118829332
Molecular FormulaC7H7F3N4O3
Molecular Weight252.15 g/mol
Exact Mass252.05
IUPAC Name3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
SMILESNCc1c(N)cc(OC(F)(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H7F3N4O3/c8-7(9,10)17-5-1-4(12)3(2-11)6(13-5)14(15)16/h1H,2,11H2,(H2,12,13)
InChIKeyRRUCHFNWSLJQGQ-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

3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200
3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-4-amine
CID 118823698
[3-iodo-2-nitro-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681073
[4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134664971
[4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118850873
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 118829972
5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 134660014
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
[3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118836974
[6-methoxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134682014
3-(fluoromethyl)-6-iodo-2-nitro-4-(trifluoromethoxy)pyridine
CID 134678900

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine (CID 118829332) is 3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine is NCc1c(N)cc(OC(F)(F)F)nc1[N+](=O)[O-].
What is the InChIKey of 3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine?
The InChIKey is RRUCHFNWSLJQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O3/c8-7(9,10)17-5-1-4(12)3(2-11)6(13-5)14(15)16/h1H,2,11H2,(H2,12,13).
What are the key properties of 3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine?
3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-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 3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine is sourced from PubChem (CID 118829332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).