methyl 3-amino-4-methoxypyridine-2-carboxylate

C8H10N2O3 — CID 146485180

IUPACmethyl 3-amino-4-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nccc(OC)c1N
InChIInChI=1S/C8H10N2O3/c1-12-5-3-4-10-7(6(5)9)8(11)13-2/h3-4H,9H2,1-2H3
InChIKeyXVOPIZCJJMYVTE-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.46
Rot. Bonds2

About methyl 3-amino-4-methoxypyridine-2-carboxylate

methyl 3-amino-4-methoxypyridine-2-carboxylate (PubChem CID 146485180) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 3-amino-4-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-methoxypyridine-2-carboxylate
PubChem CID146485180
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 3-amino-4-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nccc(OC)c1N
InChIInChI=1S/C8H10N2O3/c1-12-5-3-4-10-7(6(5)9)8(11)13-2/h3-4H,9H2,1-2H3
InChIKeyXVOPIZCJJMYVTE-UHFFFAOYSA-N
XLogP0.46
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-methoxypyridine-3-carboxylate
CID 131557944
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
methyl 7-methoxy-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate
CID 22633103
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
methyl 4-aminopyridine-2-carboxylate
CID 3759117
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
3,4-dimethoxy-N-methylpyridine-2-carboxamide
CID 156506686
2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate
CID 165095154
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
methyl 8-amino-5-fluoroisoquinoline-1-carboxylate
CID 82572045
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
4-methoxy-2-propan-2-ylpyridin-3-amine
CID 134168287

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-4-methoxypyridine-2-carboxylate (CID 146485180) is methyl 3-amino-4-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-methoxypyridine-2-carboxylate is COC(=O)c1nccc(OC)c1N.
What is the InChIKey of methyl 3-amino-4-methoxypyridine-2-carboxylate?
The InChIKey is XVOPIZCJJMYVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-12-5-3-4-10-7(6(5)9)8(11)13-2/h3-4H,9H2,1-2H3.
What are the key properties of methyl 3-amino-4-methoxypyridine-2-carboxylate?
methyl 3-amino-4-methoxypyridine-2-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-methoxypyridine-2-carboxylate is sourced from PubChem (CID 146485180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).