4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde

C17H13N3O — CID 145297900

IUPAC4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde
SMILESCc1cncc(-c2cncc(-c3ccc(C=O)cc3)n2)c1
InChIInChI=1S/C17H13N3O/c1-12-6-15(8-18-7-12)17-10-19-9-16(20-17)14-4-2-13(11-21)3-5-14/h2-11H,1H3
InChIKeyFNQQRDWPHYMKPF-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.33
Rot. Bonds3

About 4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde

4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde (PubChem CID 145297900) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde
PubChem CID145297900
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde
SMILESCc1cncc(-c2cncc(-c3ccc(C=O)cc3)n2)c1
InChIInChI=1S/C17H13N3O/c1-12-6-15(8-18-7-12)17-10-19-9-16(20-17)14-4-2-13(11-21)3-5-14/h2-11H,1H3
InChIKeyFNQQRDWPHYMKPF-UHFFFAOYSA-N
XLogP3.33
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.33
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

ethane;1-methylpiperazine;4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde
CID 145297899
4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde
CID 105408219
5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
CID 107586185
N-ethyl-6-(5-methyl-3-pyridinyl)pyrazin-2-amine
CID 115375558
sodium;hydride;4-methylbenzaldehyde
CID 173013137
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]benzaldehyde
CID 156501566
4-(2-methoxy-6-methylpyrimidin-4-yl)benzaldehyde
CID 105485419
methane;4-(3-methylphenyl)benzaldehyde
CID 143253676
3-methyl-5-(4-methyl-2-pyridinyl)pyridine
CID 54101301
2-bromo-6-(5-methyl-3-pyridinyl)pyridine
CID 115375410
3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one
CID 20522388
4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine
CID 115915028

Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde?
The IUPAC name of 4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde (CID 145297900) is 4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde.
What is the SMILES notation for 4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde?
The canonical SMILES for 4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde is Cc1cncc(-c2cncc(-c3ccc(C=O)cc3)n2)c1.
What is the InChIKey of 4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde?
The InChIKey is FNQQRDWPHYMKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-12-6-15(8-18-7-12)17-10-19-9-16(20-17)14-4-2-13(11-21)3-5-14/h2-11H,1H3.
What are the key properties of 4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde?
4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde has a molecular weight of 275.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde is sourced from PubChem (CID 145297900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).