methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate

C12H11N3O2 — CID 10633160

IUPACmethyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(N)cn2)nc1
InChIInChI=1S/C12H11N3O2/c1-17-12(16)8-2-4-10(14-6-8)11-5-3-9(13)7-15-11/h2-7H,13H2,1H3
InChIKeyKMHNHGWUNUYHLE-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.51
Rot. Bonds2

About methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate

methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate (PubChem CID 10633160) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
PubChem CID10633160
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Namemethyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(N)cn2)nc1
InChIInChI=1S/C12H11N3O2/c1-17-12(16)8-2-4-10(14-6-8)11-5-3-9(13)7-15-11/h2-7H,13H2,1H3
InChIKeyKMHNHGWUNUYHLE-UHFFFAOYSA-N
XLogP1.51
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(1H-pyrazol-4-yl)pyridine-3-carboxylate
CID 126673838
6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;methyl 6-(5-acetyl-2-pyridinyl)pyridine-3-carboxylate;thionyl dichloride
CID 157147415
methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
CID 122554528
6-(5-amino-2-pyridinyl)pyridin-3-amine;dihydrochloride
CID 11557953
methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride
CID 146048625
methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate
CID 68524349
methyl 6-(trideuteriomethyl)pyridine-3-carboxylate
CID 59327576
methyl 4-[1-(4-aminophenyl)ethyl]benzoate
CID 175023577
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate
CID 146650272
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate
CID 122554513

Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate (CID 10633160) is methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate is COC(=O)c1ccc(-c2ccc(N)cn2)nc1.
What is the InChIKey of methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate?
The InChIKey is KMHNHGWUNUYHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-17-12(16)8-2-4-10(14-6-8)11-5-3-9(13)7-15-11/h2-7H,13H2,1H3.
What are the key properties of methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate?
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate has a molecular weight of 229.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 10633160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).