4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine

C10H13F3N2O — CID 82788520

IUPAC4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
SMILESCc1ccnc(OCCCC(F)(F)F)c1N
InChIInChI=1S/C10H13F3N2O/c1-7-3-5-15-9(8(7)14)16-6-2-4-10(11,12)13/h3,5H,2,4,6,14H2,1H3
InChIKeyUFMJTLHLFMMUNR-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.69
Rot. Bonds4

About 4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine

4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine (PubChem CID 82788520) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
PubChem CID82788520
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine
SMILESCc1ccnc(OCCCC(F)(F)F)c1N
InChIInChI=1S/C10H13F3N2O/c1-7-3-5-15-9(8(7)14)16-6-2-4-10(11,12)13/h3,5H,2,4,6,14H2,1H3
InChIKeyUFMJTLHLFMMUNR-UHFFFAOYSA-N
XLogP2.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine?
The IUPAC name of 4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine (CID 82788520) is 4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine.
What is the SMILES notation for 4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine?
The canonical SMILES for 4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine is Cc1ccnc(OCCCC(F)(F)F)c1N.
What is the InChIKey of 4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine?
The InChIKey is UFMJTLHLFMMUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7-3-5-15-9(8(7)14)16-6-2-4-10(11,12)13/h3,5H,2,4,6,14H2,1H3.
What are the key properties of 4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine?
4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine has a molecular weight of 234.22 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4,4,4-trifluorobutoxy)pyridin-3-amine is sourced from PubChem (CID 82788520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).