(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol

C12H11ClN2O — CID 106859248

IUPAC(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol
SMILESCc1ccc(C(O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C12H11ClN2O/c1-8-2-3-9(10(13)6-8)12(16)11-7-14-4-5-15-11/h2-7,12,16H,1H3
InChIKeyNKXTXBHRHQINIV-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.52
Rot. Bonds2

About (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol

(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol (PubChem CID 106859248) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol
PubChem CID106859248
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol
SMILESCc1ccc(C(O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C12H11ClN2O/c1-8-2-3-9(10(13)6-8)12(16)11-7-14-4-5-15-11/h2-7,12,16H,1H3
InChIKeyNKXTXBHRHQINIV-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
CID 63970677
2-(2-chloro-4-methylphenyl)-1-pyrazin-2-ylethanol
CID 106867263
N-[(2-chloro-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106857672
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204
(2-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol
CID 106859629
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
(3,5-dichloro-2-pyridinyl)-pyrazin-2-ylmethanol
CID 79779870
[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol
CID 63968386
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
CID 115860428
(4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol
CID 115800192
(4-chloro-2,5-dimethylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862759

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol?
The IUPAC name of (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol (CID 106859248) is (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol?
The canonical SMILES for (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol is Cc1ccc(C(O)c2cnccn2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol?
The InChIKey is NKXTXBHRHQINIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-2-3-9(10(13)6-8)12(16)11-7-14-4-5-15-11/h2-7,12,16H,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol?
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol has a molecular weight of 234.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 106859248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).