[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol

C12H11ClN2O2 — CID 107373102

IUPAC[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol
SMILESCc1ccc(Cl)c(Oc2cnc(CO)cn2)c1
InChIInChI=1S/C12H11ClN2O2/c1-8-2-3-10(13)11(4-8)17-12-6-14-9(7-16)5-15-12/h2-6,16H,7H2,1H3
InChIKeyKUIGEJTYGJNVIP-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.72
Rot. Bonds3

About [5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol

[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol (PubChem CID 107373102) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is [5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol
PubChem CID107373102
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol
SMILESCc1ccc(Cl)c(Oc2cnc(CO)cn2)c1
InChIInChI=1S/C12H11ClN2O2/c1-8-2-3-10(13)11(4-8)17-12-6-14-9(7-16)5-15-12/h2-6,16H,7H2,1H3
InChIKeyKUIGEJTYGJNVIP-UHFFFAOYSA-N
XLogP2.72
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373044
[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol
CID 107373077
[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
CID 62672212
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol
CID 107373261
5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
CID 114870687
2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine
CID 107373728
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine
CID 60706705
[5-(3-chlorophenoxy)pyrazin-2-yl]methanol
CID 107373083
2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine
CID 62239031
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107382234
6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364410

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol?
The IUPAC name of [5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol (CID 107373102) is [5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol is Cc1ccc(Cl)c(Oc2cnc(CO)cn2)c1.
What is the InChIKey of [5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol?
The InChIKey is KUIGEJTYGJNVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-2-3-10(13)11(4-8)17-12-6-14-9(7-16)5-15-12/h2-6,16H,7H2,1H3.
What are the key properties of [5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol?
[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol has a molecular weight of 250.69 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 107373102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).