2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol

C16H17ClF2N2O2 — CID 123907216

IUPAC2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol
SMILESCNCC(O)(CF)c1ccc(OC)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C16H17ClF2N2O2/c1-20-9-16(22,8-18)14-6-5-13(23-2)15(21-14)10-3-4-12(19)11(17)7-10/h3-7,20,22H,8-9H2,1-2H3
InChIKeyRHCKWRHBPBUBTH-UHFFFAOYSA-N
MW342.77 g/mol
LogP2.93
Rot. Bonds6

About 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol

2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol (PubChem CID 123907216) has the molecular formula C16H17ClF2N2O2 and a molecular weight of 342.77 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol
PubChem CID123907216
Molecular FormulaC16H17ClF2N2O2
Molecular Weight342.77 g/mol
Exact Mass342.09
IUPAC Name2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol
SMILESCNCC(O)(CF)c1ccc(OC)c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C16H17ClF2N2O2/c1-20-9-16(22,8-18)14-6-5-13(23-2)15(21-14)10-3-4-12(19)11(17)7-10/h3-7,20,22H,8-9H2,1-2H3
InChIKeyRHCKWRHBPBUBTH-UHFFFAOYSA-N
XLogP2.93
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol with MolForge

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Related Compounds

2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-methylpropan-1-amine
CID 163689738
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2,3-dihydroxypropyl]-4-(3-hydroxypropoxy)-3-methoxybenzamide
CID 123645246
4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-5-(cyclopropylamino)-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 158735622
ethyl 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-isocyanopropanoate
CID 123510794
2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone
CID 90061824
2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanol
CID 90061819
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-methylpropyl]quinoline-6-carboxamide
CID 139444094
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-5-methoxyquinoline-7-carboxamide
CID 134323221
3-amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide
CID 159360211
4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-hydroxybutan-1-one
CID 158390301
4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(3-chloro-4-propoxyphenyl)-4-cyclopropyl-4-hydroxybutan-1-one
CID 157451917
4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one
CID 158300254

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol?
The IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol (CID 123907216) is 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol.
What is the SMILES notation for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol?
The canonical SMILES for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol is CNCC(O)(CF)c1ccc(OC)c(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol?
The InChIKey is RHCKWRHBPBUBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N2O2/c1-20-9-16(22,8-18)14-6-5-13(23-2)15(21-14)10-3-4-12(19)11(17)7-10/h3-7,20,22H,8-9H2,1-2H3.
What are the key properties of 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol?
2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol has a molecular weight of 342.77 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-fluoro-3-(methylamino)propan-2-ol is sourced from PubChem (CID 123907216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).