(1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol

C11H13Cl2FN2O — CID 118392085

IUPAC(1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol
SMILESO[C@@H](CNCC1(F)CC1)c1c(Cl)cncc1Cl
InChIInChI=1S/C11H13Cl2FN2O/c12-7-3-15-4-8(13)10(7)9(17)5-16-6-11(14)1-2-11/h3-4,9,16-17H,1-2,5-6H2/t9-/m0/s1
InChIKeyFPOLGPJWVAUGRS-VIFPVBQESA-N
MW279.14 g/mol
LogP2.51
Rot. Bonds5

About (1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol

(1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol (PubChem CID 118392085) has the molecular formula C11H13Cl2FN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is (1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol
PubChem CID118392085
Molecular FormulaC11H13Cl2FN2O
Molecular Weight279.14 g/mol
Exact Mass278.04
IUPAC Name(1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol
SMILESO[C@@H](CNCC1(F)CC1)c1c(Cl)cncc1Cl
InChIInChI=1S/C11H13Cl2FN2O/c12-7-3-15-4-8(13)10(7)9(17)5-16-6-11(14)1-2-11/h3-4,9,16-17H,1-2,5-6H2/t9-/m0/s1
InChIKeyFPOLGPJWVAUGRS-VIFPVBQESA-N
XLogP2.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol?
The IUPAC name of (1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol (CID 118392085) is (1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol.
What is the SMILES notation for (1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol?
The canonical SMILES for (1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol is O[C@@H](CNCC1(F)CC1)c1c(Cl)cncc1Cl.
What is the InChIKey of (1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol?
The InChIKey is FPOLGPJWVAUGRS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13Cl2FN2O/c12-7-3-15-4-8(13)10(7)9(17)5-16-6-11(14)1-2-11/h3-4,9,16-17H,1-2,5-6H2/t9-/m0/s1.
What are the key properties of (1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol?
(1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol has a molecular weight of 279.14 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dichloro-4-pyridinyl)-2-[(1-fluorocyclopropyl)methylamino]ethanol is sourced from PubChem (CID 118392085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).