2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine

C17H18ClFN2O — CID 123346000

IUPAC2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine
SMILESCOc1ccc(C(CN)C2CC2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O/c1-22-16-7-6-15(12(9-20)10-2-3-10)21-17(16)11-4-5-14(19)13(18)8-11/h4-8,10,12H,2-3,9,20H2,1H3
InChIKeyPNRWJPFCLIZUER-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.00
Rot. Bonds5

About 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine

2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine (PubChem CID 123346000) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine.

Molecular Properties

Compound Name2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine
PubChem CID123346000
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine
SMILESCOc1ccc(C(CN)C2CC2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O/c1-22-16-7-6-15(12(9-20)10-2-3-10)21-17(16)11-4-5-14(19)13(18)8-11/h4-8,10,12H,2-3,9,20H2,1H3
InChIKeyPNRWJPFCLIZUER-UHFFFAOYSA-N
XLogP4.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine?
The IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine (CID 123346000) is 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine.
What is the SMILES notation for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine?
The canonical SMILES for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine is COc1ccc(C(CN)C2CC2)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine?
The InChIKey is PNRWJPFCLIZUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-22-16-7-6-15(12(9-20)10-2-3-10)21-17(16)11-4-5-14(19)13(18)8-11/h4-8,10,12H,2-3,9,20H2,1H3.
What are the key properties of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine?
2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine has a molecular weight of 320.80 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropylethanamine is sourced from PubChem (CID 123346000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).