(S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride

C11H17Cl2FN2O — CID 155127632

IUPAC(S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride
SMILESCC1(C)CC([C@@H](O)c2cncc(F)c2)N1.Cl.Cl
InChIInChI=1S/C11H15FN2O.2ClH/c1-11(2)4-9(14-11)10(15)7-3-8(12)6-13-5-7;;/h3,5-6,9-10,14-15H,4H2,1-2H3;2*1H/t9?,10-;;/m0../s1
InChIKeyYGKMONXHTUBEHE-NYMKFKOJSA-N
MW283.17 g/mol
LogP2.24
Rot. Bonds2

About (S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride

(S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride (PubChem CID 155127632) has the molecular formula C11H17Cl2FN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is (S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride.

Molecular Properties

Compound Name(S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride
PubChem CID155127632
Molecular FormulaC11H17Cl2FN2O
Molecular Weight283.17 g/mol
Exact Mass282.07
IUPAC Name(S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride
SMILESCC1(C)CC([C@@H](O)c2cncc(F)c2)N1.Cl.Cl
InChIInChI=1S/C11H15FN2O.2ClH/c1-11(2)4-9(14-11)10(15)7-3-8(12)6-13-5-7;;/h3,5-6,9-10,14-15H,4H2,1-2H3;2*1H/t9?,10-;;/m0../s1
InChIKeyYGKMONXHTUBEHE-NYMKFKOJSA-N
XLogP2.24
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride?
The IUPAC name of (S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride (CID 155127632) is (S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride.
What is the SMILES notation for (S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride?
The canonical SMILES for (S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride is CC1(C)CC([C@@H](O)c2cncc(F)c2)N1.Cl.Cl.
What is the InChIKey of (S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride?
The InChIKey is YGKMONXHTUBEHE-NYMKFKOJSA-N. The full InChI is InChI=1S/C11H15FN2O.2ClH/c1-11(2)4-9(14-11)10(15)7-3-8(12)6-13-5-7;;/h3,5-6,9-10,14-15H,4H2,1-2H3;2*1H/t9?,10-;;/m0../s1.
What are the key properties of (S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride?
(S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride has a molecular weight of 283.17 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride is sourced from PubChem (CID 155127632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).