(2,5-dichlorophenyl)-pyrimidin-2-ylmethanol

C11H8Cl2N2O — CID 62789956

IUPAC(2,5-dichlorophenyl)-pyrimidin-2-ylmethanol
SMILESOC(c1ncccn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-7-2-3-9(13)8(6-7)10(16)11-14-4-1-5-15-11/h1-6,10,16H
InChIKeyXSZKLRYDOWEBSW-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.87
Rot. Bonds2

About (2,5-dichlorophenyl)-pyrimidin-2-ylmethanol

(2,5-dichlorophenyl)-pyrimidin-2-ylmethanol (PubChem CID 62789956) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-pyrimidin-2-ylmethanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-pyrimidin-2-ylmethanol
PubChem CID62789956
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name(2,5-dichlorophenyl)-pyrimidin-2-ylmethanol
SMILESOC(c1ncccn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-7-2-3-9(13)8(6-7)10(16)11-14-4-1-5-15-11/h1-6,10,16H
InChIKeyXSZKLRYDOWEBSW-UHFFFAOYSA-N
XLogP2.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2,5-dichlorophenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203697
(2,5-dichlorophenyl)-(furan-2-yl)methanol
CID 21387725
(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanol
CID 61083366
2,2-dichloro-1-(2,5-dichlorophenyl)ethanol
CID 70495317
(2,5-dichlorophenyl)-(thiadiazol-4-yl)methanol
CID 105093417
2-[1-(2,5-dichlorophenyl)ethylsulfanyl]pyridine
CID 22764664
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol
CID 81215844
(2,5-dichlorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105093347
(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 63894185

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-pyrimidin-2-ylmethanol?
The IUPAC name of (2,5-dichlorophenyl)-pyrimidin-2-ylmethanol (CID 62789956) is (2,5-dichlorophenyl)-pyrimidin-2-ylmethanol.
What is the SMILES notation for (2,5-dichlorophenyl)-pyrimidin-2-ylmethanol?
The canonical SMILES for (2,5-dichlorophenyl)-pyrimidin-2-ylmethanol is OC(c1ncccn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-pyrimidin-2-ylmethanol?
The InChIKey is XSZKLRYDOWEBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-7-2-3-9(13)8(6-7)10(16)11-14-4-1-5-15-11/h1-6,10,16H.
What are the key properties of (2,5-dichlorophenyl)-pyrimidin-2-ylmethanol?
(2,5-dichlorophenyl)-pyrimidin-2-ylmethanol has a molecular weight of 255.10 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-pyrimidin-2-ylmethanol is sourced from PubChem (CID 62789956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).