(2,4-dichlorophenyl)-pyrazin-2-ylmethanol

C11H8Cl2N2O — CID 63970677

IUPAC(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-7-1-2-8(9(13)5-7)11(16)10-6-14-3-4-15-10/h1-6,11,16H
InChIKeyGDXDUHDNFHVGRF-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.87
Rot. Bonds2

About (2,4-dichlorophenyl)-pyrazin-2-ylmethanol

(2,4-dichlorophenyl)-pyrazin-2-ylmethanol (PubChem CID 63970677) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
PubChem CID63970677
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
SMILESOC(c1cnccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-7-1-2-8(9(13)5-7)11(16)10-6-14-3-4-15-10/h1-6,11,16H
InChIKeyGDXDUHDNFHVGRF-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-chloro-4-methylphenyl)-pyrazin-2-ylmethanol
CID 106859248
2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile
CID 83738665
(3,5-dichloro-2-pyridinyl)-pyrazin-2-ylmethanol
CID 79779870
(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol
CID 166243334
(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
(4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol
CID 115800192
(2,4-dichlorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 114281098
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol
CID 63968386
(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
CID 115860428
(2,4-dichlorophenyl)-(1-methyltriazol-4-yl)methanol
CID 166178328
(2,4-dichlorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 166178487

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-pyrazin-2-ylmethanol?
The IUPAC name of (2,4-dichlorophenyl)-pyrazin-2-ylmethanol (CID 63970677) is (2,4-dichlorophenyl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (2,4-dichlorophenyl)-pyrazin-2-ylmethanol?
The canonical SMILES for (2,4-dichlorophenyl)-pyrazin-2-ylmethanol is OC(c1cnccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-pyrazin-2-ylmethanol?
The InChIKey is GDXDUHDNFHVGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-7-1-2-8(9(13)5-7)11(16)10-6-14-3-4-15-10/h1-6,11,16H.
What are the key properties of (2,4-dichlorophenyl)-pyrazin-2-ylmethanol?
(2,4-dichlorophenyl)-pyrazin-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 (2,4-dichlorophenyl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 63970677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).