3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine

C12H10Cl2N2O — CID 10378368

IUPAC3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2O/c13-9-3-1-4-10(14)8(9)7-17-11-5-2-6-16-12(11)15/h1-6H,7H2,(H2,15,16)
InChIKeyYRERGCGMZKIMTL-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.55
Rot. Bonds3

About 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine

3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine (PubChem CID 10378368) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine
PubChem CID10378368
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2O/c13-9-3-1-4-10(14)8(9)7-17-11-5-2-6-16-12(11)15/h1-6H,7H2,(H2,15,16)
InChIKeyYRERGCGMZKIMTL-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine (CID 10378368) is 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine is Nc1ncccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine?
The InChIKey is YRERGCGMZKIMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-9-3-1-4-10(14)8(9)7-17-11-5-2-6-16-12(11)15/h1-6H,7H2,(H2,15,16).
What are the key properties of 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine?
3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine has a molecular weight of 269.13 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 10378368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).