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

C12H9Cl3N2O — CID 114323920

IUPAC[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N2O/c13-8-2-1-7(5-16)11(4-8)18-12-10(15)3-9(14)6-17-12/h1-4,6H,5,16H2
InChIKeyKASRFBQQMUHLQH-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.29
Rot. Bonds3

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

[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine (PubChem CID 114323920) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is [4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
PubChem CID114323920
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N2O/c13-8-2-1-7(5-16)11(4-8)18-12-10(15)3-9(14)6-17-12/h1-4,6H,5,16H2
InChIKeyKASRFBQQMUHLQH-UHFFFAOYSA-N
XLogP4.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941
[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 112676396
[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
CID 106999554
[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine
CID 62296562
[4-chloro-2-(3-methoxyphenoxy)phenyl]methanamine
CID 63082834
[4-chloro-2-(4-propan-2-ylphenoxy)phenyl]methanamine
CID 63456564
[4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 114323896
[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 83146354
[4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine
CID 105363242
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 79734258
[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine?
The IUPAC name of [4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine (CID 114323920) is [4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine?
The canonical SMILES for [4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine is NCc1ccc(Cl)cc1Oc1ncc(Cl)cc1Cl.
What is the InChIKey of [4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine?
The InChIKey is KASRFBQQMUHLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c13-8-2-1-7(5-16)11(4-8)18-12-10(15)3-9(14)6-17-12/h1-4,6H,5,16H2.
What are the key properties of [4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine?
[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine has a molecular weight of 303.58 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine is sourced from PubChem (CID 114323920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).