(S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol

C16H15Cl2NO — CID 56652700

IUPAC(S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol
SMILESO[C@H](c1ccccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H15Cl2NO/c17-12-6-5-11(10-13(12)18)16(7-3-8-16)15(20)14-4-1-2-9-19-14/h1-2,4-6,9-10,15,20H,3,7-8H2/t15-/m1/s1
InChIKeyHIKORRABWGGUPU-OAHLLOKOSA-N
MW308.21 g/mol
LogP4.54
Rot. Bonds3

About (S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol

(S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol (PubChem CID 56652700) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is (S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol
PubChem CID56652700
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name(S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol
SMILESO[C@H](c1ccccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H15Cl2NO/c17-12-6-5-11(10-13(12)18)16(7-3-8-16)15(20)14-4-1-2-9-19-14/h1-2,4-6,9-10,15,20H,3,7-8H2/t15-/m1/s1
InChIKeyHIKORRABWGGUPU-OAHLLOKOSA-N
XLogP4.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
Phenyl(pyridin-2-yl)methanol
CID 315585
(7R,9S)-7-((4-(2,6-dichlorophenyl)piperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894426
(R)-[(2R)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol
CID 71519700
(R)-[(2S)-2-(3,4-dichlorophenyl)oxetan-2-yl]-pyridin-2-ylmethanol
CID 71522470
(S)-[1-(3,4-dichlorophenyl)-3,3-difluorocyclobutyl]-pyridin-2-ylmethanol
CID 71555363
(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724
2-[2-(3,4-Dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide
CID 11743621
(7R,9S)-7-((4-(2-chlorophenyl)piperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894428
[1-(3,4-Dichlorophenyl)cyclobutyl]-(3-fluoro-2-pyridinyl)methanol
CID 127043858
[1-(3,4-Dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol
CID 127043859
[1-(3,4-Dichlorophenyl)cyclobutyl]-(5-fluoro-2-pyridinyl)methanol
CID 127043860

Frequently Asked Questions

What is the IUPAC name of (S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol?
The IUPAC name of (S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol (CID 56652700) is (S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol.
What is the SMILES notation for (S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol?
The canonical SMILES for (S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol is O[C@H](c1ccccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of (S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol?
The InChIKey is HIKORRABWGGUPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-12-6-5-11(10-13(12)18)16(7-3-8-16)15(20)14-4-1-2-9-19-14/h1-2,4-6,9-10,15,20H,3,7-8H2/t15-/m1/s1.
What are the key properties of (S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol?
(S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol has a molecular weight of 308.21 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-(3,4-dichlorophenyl)cyclobutyl]-pyridin-2-ylmethanol is sourced from PubChem (CID 56652700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).