[6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol

C19H16Cl2FN3O2 — CID 58688145

IUPAC[6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol
SMILESCC(Oc1cc(-c2ccc(CO)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H16Cl2FN3O2/c1-10(17-13(20)3-4-14(22)18(17)21)27-16-6-12(8-25-19(16)23)15-5-2-11(9-26)7-24-15/h2-8,10,26H,9H2,1H3,(H2,23,25)
InChIKeyYBBZPSPBLNETEF-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.80
Rot. Bonds5

About [6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol

[6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol (PubChem CID 58688145) has the molecular formula C19H16Cl2FN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is [6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol
PubChem CID58688145
Molecular FormulaC19H16Cl2FN3O2
Molecular Weight408.26 g/mol
Exact Mass407.06
IUPAC Name[6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol
SMILESCC(Oc1cc(-c2ccc(CO)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H16Cl2FN3O2/c1-10(17-13(20)3-4-14(22)18(17)21)27-16-6-12(8-25-19(16)23)15-5-2-11(9-26)7-24-15/h2-8,10,26H,9H2,1H3,(H2,23,25)
InChIKeyYBBZPSPBLNETEF-UHFFFAOYSA-N
XLogP4.80
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.80
H-Bond Donors ≤ 52
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 [6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol?
The IUPAC name of [6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol (CID 58688145) is [6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol is CC(Oc1cc(-c2ccc(CO)cn2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of [6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol?
The InChIKey is YBBZPSPBLNETEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O2/c1-10(17-13(20)3-4-14(22)18(17)21)27-16-6-12(8-25-19(16)23)15-5-2-11(9-26)7-24-15/h2-8,10,26H,9H2,1H3,(H2,23,25).
What are the key properties of [6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol?
[6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol has a molecular weight of 408.26 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-pyridinyl]methanol is sourced from PubChem (CID 58688145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).