2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid

C14H12N2O4 — CID 140637918

IUPAC2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(OC=O)cc(-c2cc(C(=O)O)cc(C)n2)n1
InChIInChI=1S/C14H12N2O4/c1-8-3-10(14(18)19)5-12(15-8)13-6-11(20-7-17)4-9(2)16-13/h3-7H,1-2H3,(H,18,19)
InChIKeyOTBSRSMJHPUYKC-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.99
Rot. Bonds4

About 2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid

2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid (PubChem CID 140637918) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid
PubChem CID140637918
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(OC=O)cc(-c2cc(C(=O)O)cc(C)n2)n1
InChIInChI=1S/C14H12N2O4/c1-8-3-10(14(18)19)5-12(15-8)13-6-11(20-7-17)4-9(2)16-13/h3-7H,1-2H3,(H,18,19)
InChIKeyOTBSRSMJHPUYKC-UHFFFAOYSA-N
XLogP1.99
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-pyrazin-2-ylpyridine-4-carboxylic acid
CID 138718150
3-(3,5-diformyloxyphenyl)-5-methylbenzoic acid;3-formyloxy-5-methylbenzoic acid
CID 159615570
CID 162182418
CID 162182418
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430
5-formyloxypyridine-3-carboxylic acid
CID 153455132
2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid
CID 118841905
3-formyloxy-5-penta-1,3-dien-3-yloxybenzoic acid
CID 76693458
4-formyloxy-3-methylbenzoic acid
CID 88552813
carbanide;dichlororuthenium;tris(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);trichlororuthenium
CID 158249060
3-azido-5-formyloxybenzoic acid
CID 118214775
2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 118854402
4-[bis(4-carboxyphenyl)-(4-formyloxyphenyl)methyl]benzoic acid
CID 162704125

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid (CID 140637918) is 2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid is Cc1cc(OC=O)cc(-c2cc(C(=O)O)cc(C)n2)n1.
What is the InChIKey of 2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid?
The InChIKey is OTBSRSMJHPUYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8-3-10(14(18)19)5-12(15-8)13-6-11(20-7-17)4-9(2)16-13/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid?
2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyloxy-6-methyl-2-pyridinyl)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 140637918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).