[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine

C12H9Cl2FN2O — CID 63879706

IUPAC[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1nc(Oc2ccc(F)c(Cl)c2)ccc1Cl
InChIInChI=1S/C12H9Cl2FN2O/c13-8-2-4-12(17-11(8)6-16)18-7-1-3-10(15)9(14)5-7/h1-5H,6,16H2
InChIKeySDCVBFUOANYIFE-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.78
Rot. Bonds3

About [3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine

[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine (PubChem CID 63879706) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is [3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
PubChem CID63879706
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1nc(Oc2ccc(F)c(Cl)c2)ccc1Cl
InChIInChI=1S/C12H9Cl2FN2O/c13-8-2-4-12(17-11(8)6-16)18-7-1-3-10(15)9(14)5-7/h1-5H,6,16H2
InChIKeySDCVBFUOANYIFE-UHFFFAOYSA-N
XLogP3.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine (CID 63879706) is [3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine is NCc1nc(Oc2ccc(F)c(Cl)c2)ccc1Cl.
What is the InChIKey of [3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine?
The InChIKey is SDCVBFUOANYIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c13-8-2-4-12(17-11(8)6-16)18-7-1-3-10(15)9(14)5-7/h1-5H,6,16H2.
What are the key properties of [3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine?
[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine has a molecular weight of 287.12 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 63879706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).