[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine

C12H10Cl2N2O — CID 62322079

IUPAC[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1cccc(Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H10Cl2N2O/c13-10-5-4-9(6-11(10)14)17-12-3-1-2-8(7-15)16-12/h1-6H,7,15H2
InChIKeyJJQQOCSBTVKVPD-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.64
Rot. Bonds3

About [6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine

[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine (PubChem CID 62322079) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is [6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
PubChem CID62322079
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
SMILESNCc1cccc(Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H10Cl2N2O/c13-10-5-4-9(6-11(10)14)17-12-3-1-2-8(7-15)16-12/h1-6H,7,15H2
InChIKeyJJQQOCSBTVKVPD-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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Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine (CID 62322079) is [6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine is NCc1cccc(Oc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine?
The InChIKey is JJQQOCSBTVKVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-10-5-4-9(6-11(10)14)17-12-3-1-2-8(7-15)16-12/h1-6H,7,15H2.
What are the key properties of [6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine?
[6-(3,4-dichlorophenoxy)-2-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 [6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 62322079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).