(5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate

C11H10Cl2N4O3 — CID 159914654

IUPAC(5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Cl)cn1.OCc1cnc(Cl)cn1
InChIInChI=1S/C6H5ClN2O2.C5H5ClN2O/c1-11-6(10)4-2-9-5(7)3-8-4;6-5-2-7-4(3-9)1-8-5/h2-3H,1H3;1-2,9H,3H2
InChIKeyNXPWAJPEUCLZTJ-UHFFFAOYSA-N
MW317.13 g/mol
LogP1.54
Rot. Bonds2

About (5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate

(5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate (PubChem CID 159914654) has the molecular formula C11H10Cl2N4O3 and a molecular weight of 317.13 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate
PubChem CID159914654
Molecular FormulaC11H10Cl2N4O3
Molecular Weight317.13 g/mol
Exact Mass316.01
IUPAC Name(5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(Cl)cn1.OCc1cnc(Cl)cn1
InChIInChI=1S/C6H5ClN2O2.C5H5ClN2O/c1-11-6(10)4-2-9-5(7)3-8-4;6-5-2-7-4(3-9)1-8-5/h2-3H,1H3;1-2,9H,3H2
InChIKeyNXPWAJPEUCLZTJ-UHFFFAOYSA-N
XLogP1.54
TPSA98.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate?
The IUPAC name of (5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate (CID 159914654) is (5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate.
What is the SMILES notation for (5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate?
The canonical SMILES for (5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate is COC(=O)c1cnc(Cl)cn1.OCc1cnc(Cl)cn1.
What is the InChIKey of (5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate?
The InChIKey is NXPWAJPEUCLZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2.C5H5ClN2O/c1-11-6(10)4-2-9-5(7)3-8-4;6-5-2-7-4(3-9)1-8-5/h2-3H,1H3;1-2,9H,3H2.
What are the key properties of (5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate?
(5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate has a molecular weight of 317.13 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate is sourced from PubChem (CID 159914654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).