[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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Related Compounds

Envonalkib
CID 76899983
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine
CID 76973766
4-(4-{6-Amino-5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-3-yl}-pyrazol-1-ylmethyl)-tetrahydro-pyran-4-ol
CID 11576617
3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-[1-(tetrahydro-pyran-4-yl)-1H-pyrazol-4-yl]-pyridin-2-ylamine
CID 11612136
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(1-methylimidazol-4-yl)pyridin-2-amine
CID 54579007
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 58688109
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-pyrimidin-5-ylpyridin-2-amine
CID 146185123
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 146185126
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-(4-piperidin-4-ylphenyl)pyridin-2-amine
CID 146185140
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 146185145
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-(3-piperidin-4-ylphenyl)pyridin-2-amine
CID 146185148

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).