4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde

C14H13NO — CID 105408219

IUPAC4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde
SMILESCc1cncc(-c2cc(C=O)ccc2C)c1
InChIInChI=1S/C14H13NO/c1-10-5-13(8-15-7-10)14-6-12(9-16)4-3-11(14)2/h3-9H,1-2H3
InChIKeyISETXWBBIGHHTP-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.18
Rot. Bonds2

About 4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde

4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde (PubChem CID 105408219) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde
PubChem CID105408219
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde
SMILESCc1cncc(-c2cc(C=O)ccc2C)c1
InChIInChI=1S/C14H13NO/c1-10-5-13(8-15-7-10)14-6-12(9-16)4-3-11(14)2/h3-9H,1-2H3
InChIKeyISETXWBBIGHHTP-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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Related Compounds

4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651197
4-[6-(5-methyl-3-pyridinyl)pyrazin-2-yl]benzaldehyde
CID 145297900
3-(furan-3-yl)-4-methylbenzaldehyde
CID 105408137
3-(3-hydroxyphenyl)-4-methylbenzaldehyde
CID 39231630
5-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 102755517
4-methyl-3-[4-(2-methylpropyl)phenyl]benzaldehyde
CID 105409668
5-(4-fluoro-2-methylphenyl)pyridine-3-carbaldehyde
CID 112694203
3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde
CID 61033101
4-methyl-3-quinolin-7-ylbenzaldehyde
CID 105408212
3-methyl-4-(4-methylphenyl)benzaldehyde
CID 81447593
5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
CID 107586185
3-methyl-4-(5-methyl-3-pyridinyl)aniline
CID 115375020

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde?
The IUPAC name of 4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde (CID 105408219) is 4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde?
The canonical SMILES for 4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde is Cc1cncc(-c2cc(C=O)ccc2C)c1.
What is the InChIKey of 4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde?
The InChIKey is ISETXWBBIGHHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-5-13(8-15-7-10)14-6-12(9-16)4-3-11(14)2/h3-9H,1-2H3.
What are the key properties of 4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde?
4-methyl-3-(5-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 4-methyl-3-(5-methyl-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 105408219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).