[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol

C11H8Cl2N2O — CID 107918136

IUPAC[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H8Cl2N2O/c12-8-3-7(4-9(13)5-8)11-14-2-1-10(6-16)15-11/h1-5,16H,6H2
InChIKeyRGWCKERSFKMZHL-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.94
Rot. Bonds2

About [2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol

[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol (PubChem CID 107918136) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol
PubChem CID107918136
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H8Cl2N2O/c12-8-3-7(4-9(13)5-8)11-14-2-1-10(6-16)15-11/h1-5,16H,6H2
InChIKeyRGWCKERSFKMZHL-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,5-difluorophenyl)pyrimidin-4-yl]methanol
CID 62749028
[6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol
CID 119006259
(2-thiophen-3-ylpyrimidin-4-yl)methanol
CID 62748849
4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine
CID 62747062
[2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol
CID 54332168
2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 62201542
[2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol
CID 172812427
2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine
CID 114015736
[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine
CID 81491774
2-[2-(4-chlorophenyl)pyrimidin-4-yl]acetamide
CID 154146812
[4-(3,5-dichlorophenoxy)-2-pyridinyl]methanol
CID 61256108
(2-naphthalen-1-ylpyrimidin-4-yl)methanol
CID 55114157

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol (CID 107918136) is [2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol is OCc1ccnc(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of [2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol?
The InChIKey is RGWCKERSFKMZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-8-3-7(4-9(13)5-8)11-14-2-1-10(6-16)15-11/h1-5,16H,6H2.
What are the key properties of [2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol?
[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol has a molecular weight of 255.10 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 107918136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).