[2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate

C10H11NO3 — CID 174729973

IUPAC[2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate
SMILESCc1cc(C)c(C(=O)COC=O)cn1
InChIInChI=1S/C10H11NO3/c1-7-3-8(2)11-4-9(7)10(13)5-14-6-12/h3-4,6H,5H2,1-2H3
InChIKeyNDBANFQXCYZALO-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.05
Rot. Bonds4

About [2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate

[2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate (PubChem CID 174729973) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is [2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate.

Molecular Properties

Compound Name[2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate
PubChem CID174729973
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name[2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate
SMILESCc1cc(C)c(C(=O)COC=O)cn1
InChIInChI=1S/C10H11NO3/c1-7-3-8(2)11-4-9(7)10(13)5-14-6-12/h3-4,6H,5H2,1-2H3
InChIKeyNDBANFQXCYZALO-UHFFFAOYSA-N
XLogP1.05
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.05
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

4,6-dimethylpyridine-3-carboxylic acid
CID 817290
1-(4,6-dimethyl-3-pyridinyl)hex-4-yn-1-one
CID 131150840
2-amino-1-(4,6-dimethyl-3-pyridinyl)propan-1-one
CID 83827929
propan-2-yl 4,6-dimethylpyridine-3-carboxylate
CID 121321019
N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
CID 123301076
2-bromo-1-(4,6-dimethyl-3-pyridinyl)propan-1-one
CID 18967827
1-(4,6-dimethyl-3-pyridinyl)ethenol
CID 177153550
ethyl 4-cyano-6-methylpyridine-3-carboxylate
CID 101070953
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
1-(4,6-dimethyl-3-pyridinyl)ethanimine
CID 123920913
4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
CID 91225203
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841

Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate?
The IUPAC name of [2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate (CID 174729973) is [2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate.
What is the SMILES notation for [2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate?
The canonical SMILES for [2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate is Cc1cc(C)c(C(=O)COC=O)cn1.
What is the InChIKey of [2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate?
The InChIKey is NDBANFQXCYZALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7-3-8(2)11-4-9(7)10(13)5-14-6-12/h3-4,6H,5H2,1-2H3.
What are the key properties of [2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate?
[2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate has a molecular weight of 193.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethyl-3-pyridinyl)-2-oxoethyl] formate is sourced from PubChem (CID 174729973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).