3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde

C10H12ClN3O2 — CID 86648987

IUPAC3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde
SMILESC[C@@H]1COCCN1c1cnc(C=O)c(Cl)n1
InChIInChI=1S/C10H12ClN3O2/c1-7-6-16-3-2-14(7)9-4-12-8(5-15)10(11)13-9/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyDWTBZOVLGNZDQR-SSDOTTSWSA-N
MW241.68 g/mol
LogP1.17
Rot. Bonds2

About 3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde

3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde (PubChem CID 86648987) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde
PubChem CID86648987
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde
SMILESC[C@@H]1COCCN1c1cnc(C=O)c(Cl)n1
InChIInChI=1S/C10H12ClN3O2/c1-7-6-16-3-2-14(7)9-4-12-8(5-15)10(11)13-9/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyDWTBZOVLGNZDQR-SSDOTTSWSA-N
XLogP1.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde?
The IUPAC name of 3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde (CID 86648987) is 3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde?
The canonical SMILES for 3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde is C[C@@H]1COCCN1c1cnc(C=O)c(Cl)n1.
What is the InChIKey of 3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde?
The InChIKey is DWTBZOVLGNZDQR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-7-6-16-3-2-14(7)9-4-12-8(5-15)10(11)13-9/h4-5,7H,2-3,6H2,1H3/t7-/m1/s1.
What are the key properties of 3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde?
3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde has a molecular weight of 241.68 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(3R)-3-methylmorpholin-4-yl]pyrazine-2-carbaldehyde is sourced from PubChem (CID 86648987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).