3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine

C12H10Cl2N2O — CID 2800958

IUPAC3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-9-4-3-8(6-10(9)14)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2,(H2,15,16)
InChIKeyVOTVZLZLBKYLNJ-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.55
Rot. Bonds3

About 3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine

3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine (PubChem CID 2800958) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine
PubChem CID2800958
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-9-4-3-8(6-10(9)14)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2,(H2,15,16)
InChIKeyVOTVZLZLBKYLNJ-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-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine?
The IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine (CID 2800958) is 3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine is Nc1ncccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine?
The InChIKey is VOTVZLZLBKYLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-9-4-3-8(6-10(9)14)7-17-11-2-1-5-16-12(11)15/h1-6H,7H2,(H2,15,16).
What are the key properties of 3-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine?
3-[(3,4-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-[(3,4-dichlorophenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 2800958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).