(3-chloro-5-methoxypyrazin-2-yl)methanol

C6H7ClN2O2 — CID 22260387

IUPAC(3-chloro-5-methoxypyrazin-2-yl)methanol
SMILESCOc1cnc(CO)c(Cl)n1
InChIInChI=1S/C6H7ClN2O2/c1-11-5-2-8-4(3-10)6(7)9-5/h2,10H,3H2,1H3
InChIKeyZFFLYFUKTZVMSJ-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.63
Rot. Bonds2

About (3-chloro-5-methoxypyrazin-2-yl)methanol

(3-chloro-5-methoxypyrazin-2-yl)methanol (PubChem CID 22260387) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is (3-chloro-5-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-5-methoxypyrazin-2-yl)methanol
PubChem CID22260387
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name(3-chloro-5-methoxypyrazin-2-yl)methanol
SMILESCOc1cnc(CO)c(Cl)n1
InChIInChI=1S/C6H7ClN2O2/c1-11-5-2-8-4(3-10)6(7)9-5/h2,10H,3H2,1H3
InChIKeyZFFLYFUKTZVMSJ-UHFFFAOYSA-N
XLogP0.63
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methoxypyrazin-2-yl)methanol?
The IUPAC name of (3-chloro-5-methoxypyrazin-2-yl)methanol (CID 22260387) is (3-chloro-5-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for (3-chloro-5-methoxypyrazin-2-yl)methanol?
The canonical SMILES for (3-chloro-5-methoxypyrazin-2-yl)methanol is COc1cnc(CO)c(Cl)n1.
What is the InChIKey of (3-chloro-5-methoxypyrazin-2-yl)methanol?
The InChIKey is ZFFLYFUKTZVMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-11-5-2-8-4(3-10)6(7)9-5/h2,10H,3H2,1H3.
What are the key properties of (3-chloro-5-methoxypyrazin-2-yl)methanol?
(3-chloro-5-methoxypyrazin-2-yl)methanol has a molecular weight of 174.59 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 22260387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).