methyl 4-aminopyridine-2-carboxylate

C7H8N2O2 — CID 3759117

IUPACmethyl 4-aminopyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)ccn1
InChIInChI=1S/C7H8N2O2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3,(H2,8,9)
InChIKeyYHOVYZINCVIRGK-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.45
Rot. Bonds1

About methyl 4-aminopyridine-2-carboxylate

methyl 4-aminopyridine-2-carboxylate (PubChem CID 3759117) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is methyl 4-aminopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-aminopyridine-2-carboxylate
PubChem CID3759117
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Namemethyl 4-aminopyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)ccn1
InChIInChI=1S/C7H8N2O2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3,(H2,8,9)
InChIKeyYHOVYZINCVIRGK-UHFFFAOYSA-N
XLogP0.45
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
4-amino-N-methoxypyridine-2-carboxamide
CID 170972703
methyl 4-methylpyridine-2-carboxylate
CID 10920693
2-(1-methoxyethenyl)pyridin-4-amine
CID 177218237
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-(5-amino-2-methylphenoxy)pyridine-2-carboxylate
CID 66284886
4-aminopyridine-2-carboxylic acid;ethane
CID 91192468
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
4-aminopyridine-2-carboxylic acid;hydrate
CID 74892475
methyl 3-[(4-aminopyridine-2-carbonyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
CID 166367632
methyl 4-dimethylphosphorylpyridine-2-carboxylate
CID 155970992
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401

Frequently Asked Questions

What is the IUPAC name of methyl 4-aminopyridine-2-carboxylate?
The IUPAC name of methyl 4-aminopyridine-2-carboxylate (CID 3759117) is methyl 4-aminopyridine-2-carboxylate.
What is the SMILES notation for methyl 4-aminopyridine-2-carboxylate?
The canonical SMILES for methyl 4-aminopyridine-2-carboxylate is COC(=O)c1cc(N)ccn1.
What is the InChIKey of methyl 4-aminopyridine-2-carboxylate?
The InChIKey is YHOVYZINCVIRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3,(H2,8,9).
What are the key properties of methyl 4-aminopyridine-2-carboxylate?
methyl 4-aminopyridine-2-carboxylate has a molecular weight of 152.15 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminopyridine-2-carboxylate is sourced from PubChem (CID 3759117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).