4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol

C7H6F3N3O4 — CID 118829972

IUPAC4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol
SMILESNCc1c(O)cnc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7H6F3N3O4/c8-7(9,10)17-5-3(1-11)4(14)2-12-6(5)13(15)16/h2,14H,1,11H2
InChIKeyWXYVQPNZLOLQTQ-UHFFFAOYSA-N
MW253.14 g/mol
LogP1.05
Rot. Bonds3

About 4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol

4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol (PubChem CID 118829972) has the molecular formula C7H6F3N3O4 and a molecular weight of 253.14 g/mol. Its IUPAC name is 4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol
PubChem CID118829972
Molecular FormulaC7H6F3N3O4
Molecular Weight253.14 g/mol
Exact Mass253.03
IUPAC Name4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol
SMILESNCc1c(O)cnc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7H6F3N3O4/c8-7(9,10)17-5-3(1-11)4(14)2-12-6(5)13(15)16/h2,14H,1,11H2
InChIKeyWXYVQPNZLOLQTQ-UHFFFAOYSA-N
XLogP1.05
TPSA111.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 51.05
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

6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508
5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134666704
[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134677550
ethyl 2-[5-hydroxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661613
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118801499
[2-nitro-4-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 133087633
ethyl 2-[4-fluoro-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664857
2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680395
ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670205
ethyl 2-[4-methoxy-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668278
3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
CID 118829332
6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 130111846

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol (CID 118829972) is 4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol is NCc1c(O)cnc([N+](=O)[O-])c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is WXYVQPNZLOLQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O4/c8-7(9,10)17-5-3(1-11)4(14)2-12-6(5)13(15)16/h2,14H,1,11H2.
What are the key properties of 4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol?
4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 253.14 g/mol, XLogP of 1.05, 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-5-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 118829972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).