3-methyl-4-pyrazin-2-yloxybenzaldehyde

C12H10N2O2 — CID 91569099

IUPAC3-methyl-4-pyrazin-2-yloxybenzaldehyde
SMILESCc1cc(C=O)ccc1Oc1cnccn1
InChIInChI=1S/C12H10N2O2/c1-9-6-10(8-15)2-3-11(9)16-12-7-13-4-5-14-12/h2-8H,1H3
InChIKeyQNTFKVDVUOEZGE-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.39
Rot. Bonds3

About 3-methyl-4-pyrazin-2-yloxybenzaldehyde

3-methyl-4-pyrazin-2-yloxybenzaldehyde (PubChem CID 91569099) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-methyl-4-pyrazin-2-yloxybenzaldehyde.

Molecular Properties

Compound Name3-methyl-4-pyrazin-2-yloxybenzaldehyde
PubChem CID91569099
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-methyl-4-pyrazin-2-yloxybenzaldehyde
SMILESCc1cc(C=O)ccc1Oc1cnccn1
InChIInChI=1S/C12H10N2O2/c1-9-6-10(8-15)2-3-11(9)16-12-7-13-4-5-14-12/h2-8H,1H3
InChIKeyQNTFKVDVUOEZGE-UHFFFAOYSA-N
XLogP2.39
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-4-pyrazin-2-yloxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde
CID 64601191
2-(2-bromo-4-methylphenoxy)pyrazine
CID 28602476
2-(5-bromo-2-methylphenoxy)pyrazine
CID 107284336
4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde
CID 62122305
4-methoxy-3-pyrazin-2-yloxybenzoic acid
CID 79732439
3-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 54794840
3-methyl-4-naphthalen-2-yloxybenzaldehyde
CID 63535815
3-(4-formyl-2-methylphenoxy)benzonitrile
CID 62121795
3-methyl-4-(trifluoromethoxy)benzaldehyde
CID 88929764
3-methyl-4-(2-methylsulfanylphenoxy)benzaldehyde
CID 63647839
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80631862
2-amino-N-[(3-methyl-4-pyrazin-2-yloxyphenyl)carbamoyl]benzamide
CID 129188553

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pyrazin-2-yloxybenzaldehyde?
The IUPAC name of 3-methyl-4-pyrazin-2-yloxybenzaldehyde (CID 91569099) is 3-methyl-4-pyrazin-2-yloxybenzaldehyde.
What is the SMILES notation for 3-methyl-4-pyrazin-2-yloxybenzaldehyde?
The canonical SMILES for 3-methyl-4-pyrazin-2-yloxybenzaldehyde is Cc1cc(C=O)ccc1Oc1cnccn1.
What is the InChIKey of 3-methyl-4-pyrazin-2-yloxybenzaldehyde?
The InChIKey is QNTFKVDVUOEZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-9-6-10(8-15)2-3-11(9)16-12-7-13-4-5-14-12/h2-8H,1H3.
What are the key properties of 3-methyl-4-pyrazin-2-yloxybenzaldehyde?
3-methyl-4-pyrazin-2-yloxybenzaldehyde has a molecular weight of 214.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pyrazin-2-yloxybenzaldehyde is sourced from PubChem (CID 91569099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).