5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde

C14H12N2O2 — CID 118113308

IUPAC5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde
SMILESO=Cc1cnc(Oc2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C14H12N2O2/c17-9-12-7-16-14(8-15-12)18-13-5-3-11(4-6-13)10-1-2-10/h3-10H,1-2H2
InChIKeyNOMDVELVPHKPED-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.96
Rot. Bonds4

About 5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde

5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde (PubChem CID 118113308) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde
PubChem CID118113308
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde
SMILESO=Cc1cnc(Oc2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C14H12N2O2/c17-9-12-7-16-14(8-15-12)18-13-5-3-11(4-6-13)10-1-2-10/h3-10H,1-2H2
InChIKeyNOMDVELVPHKPED-UHFFFAOYSA-N
XLogP2.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde
CID 118113115
ethyl 3-[[5-(4-cyclopropylphenoxy)pyrazin-2-yl]methylamino]propanoate
CID 118176752
5-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine-2-carbaldehyde
CID 170992544
2-[4-(azetidin-3-yl)phenoxy]-5-(trifluoromethyl)pyrazine
CID 162745630
5-(cyclopropylmethoxy)pyridine-2-carbaldehyde
CID 79793773
2-(4-piperidin-1-ium-4-ylphenoxy)pyridine chloride
CID 177057884
4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde
CID 135357943
5-(2-cyclopropylethoxy)pyridine-2-carbaldehyde
CID 79794927
2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde
CID 79980973
6-(4-cyclopropylphenoxy)-5-fluoropyridine-3-carboxamide
CID 146305985
6-(4-iodophenoxy)pyridine-3-carbaldehyde
CID 80632740
(5-cyclopropyl-2-pyridinyl) acetate
CID 174713182

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde?
The IUPAC name of 5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde (CID 118113308) is 5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde.
What is the SMILES notation for 5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde?
The canonical SMILES for 5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde is O=Cc1cnc(Oc2ccc(C3CC3)cc2)cn1.
What is the InChIKey of 5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde?
The InChIKey is NOMDVELVPHKPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-9-12-7-16-14(8-15-12)18-13-5-3-11(4-6-13)10-1-2-10/h3-10H,1-2H2.
What are the key properties of 5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde?
5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde has a molecular weight of 240.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylphenoxy)pyrazine-2-carbaldehyde is sourced from PubChem (CID 118113308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).