(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine

C26H14Cl8N6O2 — CID 157376948

IUPAC(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine
SMILESClc1cncc(Cl)n1.O=C(c1ccc(Cl)cc1)c1ncc(Cl)nc1Cl.OC(c1ccc(Cl)cc1)c1ncc(Cl)nc1Cl
InChIInChI=1S/C11H7Cl3N2O.C11H5Cl3N2O.C4H2Cl2N2/c2*12-7-3-1-6(2-4-7)10(17)9-11(14)16-8(13)5-15-9;5-3-1-7-2-4(6)8-3/h1-5,10,17H;1-5H;1-2H
InChIKeyBKKWOFKCFXIGHT-UHFFFAOYSA-N
MW726.06 g/mol
LogP8.97
Rot. Bonds4

About (4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine

(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine (PubChem CID 157376948) has the molecular formula C26H14Cl8N6O2 and a molecular weight of 726.06 g/mol. Its IUPAC name is (4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine.

Molecular Properties

Compound Name(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine
PubChem CID157376948
Molecular FormulaC26H14Cl8N6O2
Molecular Weight726.06 g/mol
Exact Mass721.87
IUPAC Name(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine
SMILESClc1cncc(Cl)n1.O=C(c1ccc(Cl)cc1)c1ncc(Cl)nc1Cl.OC(c1ccc(Cl)cc1)c1ncc(Cl)nc1Cl
InChIInChI=1S/C11H7Cl3N2O.C11H5Cl3N2O.C4H2Cl2N2/c2*12-7-3-1-6(2-4-7)10(17)9-11(14)16-8(13)5-15-9;5-3-1-7-2-4(6)8-3/h1-5,10,17H;1-5H;1-2H
InChIKeyBKKWOFKCFXIGHT-UHFFFAOYSA-N
XLogP8.97
TPSA114.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.06
LogP ≤ 58.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

bis(3,5-dichloropyrazin-2-yl)methanone
CID 174592625
(4-chlorophenyl)-(3,5-dimethyl-2-pyridinyl)methanol
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(4-chlorophenyl)-(4-trimethylsilylsulfanylphenyl)methanone
CID 19861228
2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 60735316
(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514841
(4-chlorophenyl)-(1H-imidazol-5-yl)methanone
CID 3851790
(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
CID 15135631
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
(4-chlorophenyl)-(2,4-dimethoxypyrimidin-5-yl)methanone
CID 102421117
(4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone
CID 56692836
5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid
CID 82535163
(4-chlorophenyl)-quinolin-3-ylmethanol
CID 20794845

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine?
The IUPAC name of (4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine (CID 157376948) is (4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine.
What is the SMILES notation for (4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine?
The canonical SMILES for (4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine is Clc1cncc(Cl)n1.O=C(c1ccc(Cl)cc1)c1ncc(Cl)nc1Cl.OC(c1ccc(Cl)cc1)c1ncc(Cl)nc1Cl.
What is the InChIKey of (4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine?
The InChIKey is BKKWOFKCFXIGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O.C11H5Cl3N2O.C4H2Cl2N2/c2*12-7-3-1-6(2-4-7)10(17)9-11(14)16-8(13)5-15-9;5-3-1-7-2-4(6)8-3/h1-5,10,17H;1-5H;1-2H.
What are the key properties of (4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine?
(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine has a molecular weight of 726.06 g/mol, XLogP of 8.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanol;(4-chlorophenyl)-(3,5-dichloropyrazin-2-yl)methanone;2,6-dichloropyrazine is sourced from PubChem (CID 157376948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).