methyl 6-(trideuteriomethyl)pyridine-3-carboxylate

C8H9NO2 — CID 59327576

IUPACmethyl 6-(trideuteriomethyl)pyridine-3-carboxylate
SMILES[2H]C([2H])([2H])c1ccc(C(=O)OC)cn1
InChIInChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3/i1D3
InChIKeyVYPPZXZHYDSBSJ-FIBGUPNXSA-N
MW154.18 g/mol
LogP1.18
Rot. Bonds2

About methyl 6-(trideuteriomethyl)pyridine-3-carboxylate

methyl 6-(trideuteriomethyl)pyridine-3-carboxylate (PubChem CID 59327576) has the molecular formula C8H9NO2 and a molecular weight of 154.18 g/mol. Its IUPAC name is methyl 6-(trideuteriomethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(trideuteriomethyl)pyridine-3-carboxylate
PubChem CID59327576
Molecular FormulaC8H9NO2
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Namemethyl 6-(trideuteriomethyl)pyridine-3-carboxylate
SMILES[2H]C([2H])([2H])c1ccc(C(=O)OC)cn1
InChIInChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3/i1D3
InChIKeyVYPPZXZHYDSBSJ-FIBGUPNXSA-N
XLogP1.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium
CID 20707169
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
CID 62952960
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride
CID 146048625
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate
CID 146650272

Frequently Asked Questions

What is the IUPAC name of methyl 6-(trideuteriomethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(trideuteriomethyl)pyridine-3-carboxylate (CID 59327576) is methyl 6-(trideuteriomethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(trideuteriomethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(trideuteriomethyl)pyridine-3-carboxylate is [2H]C([2H])([2H])c1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-(trideuteriomethyl)pyridine-3-carboxylate?
The InChIKey is VYPPZXZHYDSBSJ-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3/i1D3.
What are the key properties of methyl 6-(trideuteriomethyl)pyridine-3-carboxylate?
methyl 6-(trideuteriomethyl)pyridine-3-carboxylate has a molecular weight of 154.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(trideuteriomethyl)pyridine-3-carboxylate is sourced from PubChem (CID 59327576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).