methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate

C15H13NO3 — CID 170838684

IUPACmethyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccccc2C=O)cc1C
InChIInChI=1S/C15H13NO3/c1-10-7-12(8-16-14(10)15(18)19-2)13-6-4-3-5-11(13)9-17/h3-9H,1-2H3
InChIKeySHWWUAHGKLFTAY-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.66
Rot. Bonds3

About methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate

methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate (PubChem CID 170838684) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate
PubChem CID170838684
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccccc2C=O)cc1C
InChIInChI=1S/C15H13NO3/c1-10-7-12(8-16-14(10)15(18)19-2)13-6-4-3-5-11(13)9-17/h3-9H,1-2H3
InChIKeySHWWUAHGKLFTAY-UHFFFAOYSA-N
XLogP2.66
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.66
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

2-(4-methoxy-3-methylphenyl)benzaldehyde
CID 54910312
ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
CID 176579358
2-[6-(3,4,5-trimethoxyanilino)-3-pyridinyl]benzaldehyde
CID 126471253
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
methyl 5-formyl-4-methyl-2-phenylbenzoate
CID 174407984
methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate
CID 86674254
2-(4-fluoro-3-methylphenyl)benzaldehyde
CID 61025610
2-(3,5-dimethylphenyl)benzaldehyde
CID 61025926
methyl 5-bromo-3-methylpyridine-2-carboxylate;methyl 3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 158691953
methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate
CID 130050397
tert-butyl 3-[[5-(2-formylphenyl)pyridine-2-carbonyl]amino]propanoate
CID 86674244
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate?
The IUPAC name of methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate (CID 170838684) is methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate is COC(=O)c1ncc(-c2ccccc2C=O)cc1C.
What is the InChIKey of methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate?
The InChIKey is SHWWUAHGKLFTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-7-12(8-16-14(10)15(18)19-2)13-6-4-3-5-11(13)9-17/h3-9H,1-2H3.
What are the key properties of methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate?
methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 170838684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).