3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine

C17H15Cl2FN4O — CID 54579007

IUPAC3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2cn(C)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C17H15Cl2FN4O/c1-9(15-11(18)3-4-12(20)16(15)19)25-14-5-10(6-22-17(14)21)13-7-24(2)8-23-13/h3-9H,1-2H3,(H2,21,22)
InChIKeyWLWMSFIVIJARDB-UHFFFAOYSA-N
MW381.24 g/mol
LogP4.65
Rot. Bonds4

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine (PubChem CID 54579007) has the molecular formula C17H15Cl2FN4O and a molecular weight of 381.24 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
PubChem CID54579007
Molecular FormulaC17H15Cl2FN4O
Molecular Weight381.24 g/mol
Exact Mass380.06
IUPAC Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2cn(C)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C17H15Cl2FN4O/c1-9(15-11(18)3-4-12(20)16(15)19)25-14-5-10(6-22-17(14)21)13-7-24(2)8-23-13/h3-9H,1-2H3,(H2,21,22)
InChIKeyWLWMSFIVIJARDB-UHFFFAOYSA-N
XLogP4.65
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine (CID 54579007) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine is CC(Oc1cc(-c2cn(C)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine?
The InChIKey is WLWMSFIVIJARDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN4O/c1-9(15-11(18)3-4-12(20)16(15)19)25-14-5-10(6-22-17(14)21)13-7-24(2)8-23-13/h3-9H,1-2H3,(H2,21,22).
What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine?
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine has a molecular weight of 381.24 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 54579007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).