1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine

C13H10Cl4N2O — CID 62296357

IUPAC1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl4N2O/c1-18-5-7-2-11(17)13(19-6-7)20-12-4-9(15)8(14)3-10(12)16/h2-4,6,18H,5H2,1H3
InChIKeyYPCPALZRJSHXFO-UHFFFAOYSA-N
MW352.05 g/mol
LogP5.21
Rot. Bonds4

About 1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine

1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 62296357) has the molecular formula C13H10Cl4N2O and a molecular weight of 352.05 g/mol. Its IUPAC name is 1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID62296357
Molecular FormulaC13H10Cl4N2O
Molecular Weight352.05 g/mol
Exact Mass349.95
IUPAC Name1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl4N2O/c1-18-5-7-2-11(17)13(19-6-7)20-12-4-9(15)8(14)3-10(12)16/h2-4,6,18H,5H2,1H3
InChIKeyYPCPALZRJSHXFO-UHFFFAOYSA-N
XLogP5.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.05
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 79406807
1-[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-N-methylmethanamine
CID 62291646
1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187
1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986
N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine
CID 62297762
1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine
CID 107387718
1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine
CID 102986084
N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740579
1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106486635
1-[3-fluoro-4-(2,4,5-trichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282453
1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635567

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 62296357) is 1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is YPCPALZRJSHXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl4N2O/c1-18-5-7-2-11(17)13(19-6-7)20-12-4-9(15)8(14)3-10(12)16/h2-4,6,18H,5H2,1H3.
What are the key properties of 1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 352.05 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62296357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).