(3,5-dichlorophenyl)-pyridin-3-ylmethanol

C12H9Cl2NO — CID 63900537

IUPAC(3,5-dichlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c13-10-4-9(5-11(14)6-10)12(16)8-2-1-3-15-7-8/h1-7,12,16H
InChIKeyYSKDLGBSRFRZEL-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.47
Rot. Bonds2

About (3,5-dichlorophenyl)-pyridin-3-ylmethanol

(3,5-dichlorophenyl)-pyridin-3-ylmethanol (PubChem CID 63900537) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-pyridin-3-ylmethanol
PubChem CID63900537
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name(3,5-dichlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c13-10-4-9(5-11(14)6-10)12(16)8-2-1-3-15-7-8/h1-7,12,16H
InChIKeyYSKDLGBSRFRZEL-UHFFFAOYSA-N
XLogP3.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
(7-chloro-1,3-benzodioxol-5-yl)-pyridin-3-ylmethanol
CID 63894459
(5-chloro-1H-indazol-7-yl)-pyridin-3-ylmethanol
CID 134373342
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
1,2-oxazol-4-yl(pyridin-3-yl)methanol
CID 91481512
3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 14989408
(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595568
(R)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595571
(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
CID 81447903

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of (3,5-dichlorophenyl)-pyridin-3-ylmethanol (CID 63900537) is (3,5-dichlorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (3,5-dichlorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (3,5-dichlorophenyl)-pyridin-3-ylmethanol is OC(c1cccnc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)-pyridin-3-ylmethanol?
The InChIKey is YSKDLGBSRFRZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-10-4-9(5-11(14)6-10)12(16)8-2-1-3-15-7-8/h1-7,12,16H.
What are the key properties of (3,5-dichlorophenyl)-pyridin-3-ylmethanol?
(3,5-dichlorophenyl)-pyridin-3-ylmethanol has a molecular weight of 254.12 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 63900537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).