4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine

C9H11F3N2O2 — CID 118192789

IUPAC4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCOC(OC)c1c(N)cncc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-15-8(16-2)7-5(9(10,11)12)3-14-4-6(7)13/h3-4,8H,13H2,1-2H3
InChIKeyNAEAGVHKVSPDGA-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.97
Rot. Bonds3

About 4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine

4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 118192789) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine
PubChem CID118192789
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCOC(OC)c1c(N)cncc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-15-8(16-2)7-5(9(10,11)12)3-14-4-6(7)13/h3-4,8H,13H2,1-2H3
InChIKeyNAEAGVHKVSPDGA-UHFFFAOYSA-N
XLogP1.97
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine (CID 118192789) is 4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine is COC(OC)c1c(N)cncc1C(F)(F)F.
What is the InChIKey of 4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is NAEAGVHKVSPDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-15-8(16-2)7-5(9(10,11)12)3-14-4-6(7)13/h3-4,8H,13H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine?
4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 236.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 118192789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).