5-(2-chloropyrimidin-4-yl)-2-methoxyphenol

C11H9ClN2O2 — CID 91620392

IUPAC5-(2-chloropyrimidin-4-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2ccnc(Cl)n2)cc1O
InChIInChI=1S/C11H9ClN2O2/c1-16-10-3-2-7(6-9(10)15)8-4-5-13-11(12)14-8/h2-6,15H,1H3
InChIKeyNCFGVVNKIMTDMK-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.51
Rot. Bonds2

About 5-(2-chloropyrimidin-4-yl)-2-methoxyphenol

5-(2-chloropyrimidin-4-yl)-2-methoxyphenol (PubChem CID 91620392) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(2-chloropyrimidin-4-yl)-2-methoxyphenol
PubChem CID91620392
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name5-(2-chloropyrimidin-4-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2ccnc(Cl)n2)cc1O
InChIInChI=1S/C11H9ClN2O2/c1-16-10-3-2-7(6-9(10)15)8-4-5-13-11(12)14-8/h2-6,15H,1H3
InChIKeyNCFGVVNKIMTDMK-UHFFFAOYSA-N
XLogP2.51
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[4-methoxy-3-(prop-2-enoxymethyl)phenyl]pyrimidine
CID 53363694
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 82291455
2-chloro-4-naphthalen-2-ylpyrimidine;ethane
CID 90837684
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385
2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 24901904
5-(2-chloropyrimidin-4-yl)-2-(2-methylpropoxy)aniline
CID 88958999
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 141058986
4-(2-chloropyrimidin-4-yl)-2-methylbenzenethiol
CID 174529253
2-chloro-4-(3-methylphenyl)pyrimidine
CID 24901884
5-(3-chloro-5-fluorophenyl)-2-methoxyphenol
CID 53220924
4-chloro-2-(3,4-dimethoxyphenyl)pyridine
CID 102825072

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-methoxyphenol?
The IUPAC name of 5-(2-chloropyrimidin-4-yl)-2-methoxyphenol (CID 91620392) is 5-(2-chloropyrimidin-4-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)-2-methoxyphenol?
The canonical SMILES for 5-(2-chloropyrimidin-4-yl)-2-methoxyphenol is COc1ccc(-c2ccnc(Cl)n2)cc1O.
What is the InChIKey of 5-(2-chloropyrimidin-4-yl)-2-methoxyphenol?
The InChIKey is NCFGVVNKIMTDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-16-10-3-2-7(6-9(10)15)8-4-5-13-11(12)14-8/h2-6,15H,1H3.
What are the key properties of 5-(2-chloropyrimidin-4-yl)-2-methoxyphenol?
5-(2-chloropyrimidin-4-yl)-2-methoxyphenol has a molecular weight of 236.66 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-4-yl)-2-methoxyphenol is sourced from PubChem (CID 91620392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).