[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine

C12H10Cl2N2O — CID 62321461

IUPAC[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(Oc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-9-2-1-3-10(5-9)17-12-11(14)4-8(6-15)7-16-12/h1-5,7H,6,15H2
InChIKeyYEVUAJQVOZIKLG-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.64
Rot. Bonds3

About [5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine

[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine (PubChem CID 62321461) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is [5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine
PubChem CID62321461
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine
SMILESNCc1cnc(Oc2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-9-2-1-3-10(5-9)17-12-11(14)4-8(6-15)7-16-12/h1-5,7H,6,15H2
InChIKeyYEVUAJQVOZIKLG-UHFFFAOYSA-N
XLogP3.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-(3-chlorophenoxy)pyridine
CID 91013057
[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine
CID 62296562
[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
CID 80636065
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
[5-chloro-6-(3-iodophenoxy)-3-pyridinyl]methanol
CID 61255474
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
CID 116803066
[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633368
[2-(3-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175170
5-(bromomethyl)-2-(3-chlorophenoxy)pyridine
CID 107087158
5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
CID 80869635

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine (CID 62321461) is [5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine is NCc1cnc(Oc2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of [5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine?
The InChIKey is YEVUAJQVOZIKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-9-2-1-3-10(5-9)17-12-11(14)4-8(6-15)7-16-12/h1-5,7H,6,15H2.
What are the key properties of [5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine?
[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine has a molecular weight of 269.13 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 62321461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).