[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine

C12H9Cl2FN2O — CID 79734258

IUPAC[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1ccc(Oc2ncc(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C12H9Cl2FN2O/c13-8-4-10(15)12(17-6-8)18-11-2-1-7(5-16)3-9(11)14/h1-4,6H,5,16H2
InChIKeyQFNNYCLBNFCADM-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.78
Rot. Bonds3

About [3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine

[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine (PubChem CID 79734258) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is [3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
PubChem CID79734258
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1ccc(Oc2ncc(Cl)cc2F)c(Cl)c1
InChIInChI=1S/C12H9Cl2FN2O/c13-8-4-10(15)12(17-6-8)18-11-2-1-7(5-16)3-9(11)14/h1-4,6H,5,16H2
InChIKeyQFNNYCLBNFCADM-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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Related Compounds

[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 83146354
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
CID 63088683
[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine
CID 62296562
2-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727544
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
3-[4-(aminomethyl)-2-chlorophenoxy]-1-methylpyrazin-2-one
CID 55155057
2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727810
[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323920
5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine
CID 79727918
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine (CID 79734258) is [3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine is NCc1ccc(Oc2ncc(Cl)cc2F)c(Cl)c1.
What is the InChIKey of [3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is QFNNYCLBNFCADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c13-8-4-10(15)12(17-6-8)18-11-2-1-7(5-16)3-9(11)14/h1-4,6H,5,16H2.
What are the key properties of [3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine?
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]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-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 79734258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).