methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate

C8H10N2O2 — CID 155292007

IUPACmethyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
SMILES[2H]C([2H])([2H])Nc1cc(C(=O)OC)ccn1
InChIInChI=1S/C8H10N2O2/c1-9-7-5-6(3-4-10-7)8(11)12-2/h3-5H,1-2H3,(H,9,10)/i1D3
InChIKeyNOJDCGOBIAEUSN-FIBGUPNXSA-N
MW169.20 g/mol
LogP0.91
Rot. Bonds3

About methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate

methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate (PubChem CID 155292007) has the molecular formula C8H10N2O2 and a molecular weight of 169.20 g/mol. Its IUPAC name is methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
PubChem CID155292007
Molecular FormulaC8H10N2O2
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Namemethyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
SMILES[2H]C([2H])([2H])Nc1cc(C(=O)OC)ccn1
InChIInChI=1S/C8H10N2O2/c1-9-7-5-6(3-4-10-7)8(11)12-2/h3-5H,1-2H3,(H,9,10)/i1D3
InChIKeyNOJDCGOBIAEUSN-FIBGUPNXSA-N
XLogP0.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934
methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate
CID 155292022
2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 114074924
methyl 2-(1-bromoethylcarbamoylamino)pyridine-4-carboxylate
CID 143854974
methyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carboxylate
CID 114075125
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874

Frequently Asked Questions

What is the IUPAC name of methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate (CID 155292007) is methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate is [2H]C([2H])([2H])Nc1cc(C(=O)OC)ccn1.
What is the InChIKey of methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate?
The InChIKey is NOJDCGOBIAEUSN-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-9-7-5-6(3-4-10-7)8(11)12-2/h3-5H,1-2H3,(H,9,10)/i1D3.
What are the key properties of methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate?
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate has a molecular weight of 169.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate is sourced from PubChem (CID 155292007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).