1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol

C9H13ClN2O2 — CID 10242450

IUPAC1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol
SMILESCOc1cnc(C(O)C(C)C)c(Cl)n1
InChIInChI=1S/C9H13ClN2O2/c1-5(2)8(13)7-9(10)12-6(14-3)4-11-7/h4-5,8,13H,1-3H3
InChIKeyAVDPJONNQQCOMO-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.83
Rot. Bonds3

About 1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol

1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol (PubChem CID 10242450) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol
PubChem CID10242450
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol
SMILESCOc1cnc(C(O)C(C)C)c(Cl)n1
InChIInChI=1S/C9H13ClN2O2/c1-5(2)8(13)7-9(10)12-6(14-3)4-11-7/h4-5,8,13H,1-3H3
InChIKeyAVDPJONNQQCOMO-UHFFFAOYSA-N
XLogP1.83
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Hydroxy-2-methylpropyl)-3-methoxypyrazine
CID 587218
1-(3-Methoxypyrazin-2-yl)-2-methylpropan-1-ol
CID 169492673
1-(3-Chloro-5-methoxypyrazin-2-yl)hexan-1-ol
CID 11390906
Ypnlsagwihgkrk-uhfffaoysa-
CID 11788734
1-(3,5-Dichloropyrazin-2-yl)propan-1-ol
CID 15696847
1-(3-Chloropyrazin-2-yl)-2-propylhexan-1-ol
CID 145616406
1-(5-Chloro-6-methoxypyrazin-2-yl)ethanol
CID 166938259
3-Chloro-2-cyclopropyl-5-pentan-3-yloxypyrazine
CID 172372380
1-(5-Chloro-3-methoxypyrazin-2-yl)-2-methylpropan-1-ol
CID 9990907
1-(3,5-Dichloropyrazin-2-yl)-2-methylpropan-1-ol
CID 9991048
1-(3-Chloropyrazin-2-yl)butan-1-ol
CID 46835301
1-(6-Methoxypyrazin-2-yl)-3-methylbutan-2-ol
CID 64289023

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol (CID 10242450) is 1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol is COc1cnc(C(O)C(C)C)c(Cl)n1.
What is the InChIKey of 1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol?
The InChIKey is AVDPJONNQQCOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-5(2)8(13)7-9(10)12-6(14-3)4-11-7/h4-5,8,13H,1-3H3.
What are the key properties of 1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol?
1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol has a molecular weight of 216.67 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methoxypyrazin-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 10242450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).