[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine

C12H9Cl3N2O — CID 62296562

IUPAC[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(Oc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2O/c13-8-1-2-9(14)11(4-8)18-12-10(15)3-7(5-16)6-17-12/h1-4,6H,5,16H2
InChIKeyXJWMFIYKHWYGPW-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.29
Rot. Bonds3

About [5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine

[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine (PubChem CID 62296562) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is [5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine
PubChem CID62296562
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(Oc2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2O/c13-8-1-2-9(14)11(4-8)18-12-10(15)3-7(5-16)6-17-12/h1-4,6H,5,16H2
InChIKeyXJWMFIYKHWYGPW-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

[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine
CID 62321461
[3-chloro-4-(2,5-dichlorophenoxy)phenyl]methanamine
CID 63088683
[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323920
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
[3-chloro-4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 79734258
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639815
[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61098837
4-(chloromethyl)-1-(2,5-dichlorophenoxy)isoquinoline
CID 106769473
[5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methanamine
CID 81342055
[3-[2-(2,5-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 22682500

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine (CID 62296562) is [5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine is NCc1cnc(Oc2cc(Cl)ccc2Cl)c(Cl)c1.
What is the InChIKey of [5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine?
The InChIKey is XJWMFIYKHWYGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c13-8-1-2-9(14)11(4-8)18-12-10(15)3-7(5-16)6-17-12/h1-4,6H,5,16H2.
What are the key properties of [5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine?
[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]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 [5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 62296562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).