5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine

C10H11ClF4N2O — CID 55127550

IUPAC5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine
SMILESCNc1ccc(Cl)c(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H11ClF4N2O/c1-16-8-3-2-6(11)7(17-8)4-18-5-10(14,15)9(12)13/h2-3,9H,4-5H2,1H3,(H,16,17)
InChIKeyAGSCQOCMROINHT-UHFFFAOYSA-N
MW286.66 g/mol
LogP3.19
Rot. Bonds6

About 5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine

5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine (PubChem CID 55127550) has the molecular formula C10H11ClF4N2O and a molecular weight of 286.66 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine
PubChem CID55127550
Molecular FormulaC10H11ClF4N2O
Molecular Weight286.66 g/mol
Exact Mass286.05
IUPAC Name5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine
SMILESCNc1ccc(Cl)c(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H11ClF4N2O/c1-16-8-3-2-6(11)7(17-8)4-18-5-10(14,15)9(12)13/h2-3,9H,4-5H2,1H3,(H,16,17)
InChIKeyAGSCQOCMROINHT-UHFFFAOYSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.66
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine (CID 55127550) is 5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine is CNc1ccc(Cl)c(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine?
The InChIKey is AGSCQOCMROINHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF4N2O/c1-16-8-3-2-6(11)7(17-8)4-18-5-10(14,15)9(12)13/h2-3,9H,4-5H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine?
5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine has a molecular weight of 286.66 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine is sourced from PubChem (CID 55127550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).