2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde

C14H13NO — CID 146405666

IUPAC2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde
SMILESCc1cc(-c2cccnc2C)ccc1C=O
InChIInChI=1S/C14H13NO/c1-10-8-12(5-6-13(10)9-16)14-4-3-7-15-11(14)2/h3-9H,1-2H3
InChIKeyMTDDOCBRZUJCFQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.18
Rot. Bonds2

About 2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde

2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde (PubChem CID 146405666) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde
PubChem CID146405666
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde
SMILESCc1cc(-c2cccnc2C)ccc1C=O
InChIInChI=1S/C14H13NO/c1-10-8-12(5-6-13(10)9-16)14-4-3-7-15-11(14)2/h3-9H,1-2H3
InChIKeyMTDDOCBRZUJCFQ-UHFFFAOYSA-N
XLogP3.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde?
The IUPAC name of 2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde (CID 146405666) is 2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde?
The canonical SMILES for 2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde is Cc1cc(-c2cccnc2C)ccc1C=O.
What is the InChIKey of 2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde?
The InChIKey is MTDDOCBRZUJCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-8-12(5-6-13(10)9-16)14-4-3-7-15-11(14)2/h3-9H,1-2H3.
What are the key properties of 2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde?
2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde has a molecular weight of 211.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 146405666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).