methyl 6-amino-4-ethoxypyridine-3-carboxylate

C9H12N2O3 — CID 155437022

IUPACmethyl 6-amino-4-ethoxypyridine-3-carboxylate
SMILESCCOc1cc(N)ncc1C(=O)OC
InChIInChI=1S/C9H12N2O3/c1-3-14-7-4-8(10)11-5-6(7)9(12)13-2/h4-5H,3H2,1-2H3,(H2,10,11)
InChIKeyBXNIWZMMDVPANH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.85
Rot. Bonds3

About methyl 6-amino-4-ethoxypyridine-3-carboxylate

methyl 6-amino-4-ethoxypyridine-3-carboxylate (PubChem CID 155437022) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is methyl 6-amino-4-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-4-ethoxypyridine-3-carboxylate
PubChem CID155437022
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Namemethyl 6-amino-4-ethoxypyridine-3-carboxylate
SMILESCCOc1cc(N)ncc1C(=O)OC
InChIInChI=1S/C9H12N2O3/c1-3-14-7-4-8(10)11-5-6(7)9(12)13-2/h4-5H,3H2,1-2H3,(H2,10,11)
InChIKeyBXNIWZMMDVPANH-UHFFFAOYSA-N
XLogP0.85
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate
CID 114194762
methyl 4-amino-2-ethoxy-5-nitrobenzoate
CID 15096751
5-ethenyl-4-ethoxypyridin-2-amine
CID 74889594
methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate
CID 172649580
methyl 2-ethoxy-5-iodo-4-methylbenzoate
CID 59224659
4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
CID 23171065
methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate
CID 114195676
5-bromo-4-ethoxypyridin-2-amine;hydrobromide
CID 134328436
methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
CID 114195751
methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate
CID 114195372
methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate
CID 67071349

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-4-ethoxypyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-4-ethoxypyridine-3-carboxylate (CID 155437022) is methyl 6-amino-4-ethoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-4-ethoxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-4-ethoxypyridine-3-carboxylate is CCOc1cc(N)ncc1C(=O)OC.
What is the InChIKey of methyl 6-amino-4-ethoxypyridine-3-carboxylate?
The InChIKey is BXNIWZMMDVPANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-14-7-4-8(10)11-5-6(7)9(12)13-2/h4-5H,3H2,1-2H3,(H2,10,11).
What are the key properties of methyl 6-amino-4-ethoxypyridine-3-carboxylate?
methyl 6-amino-4-ethoxypyridine-3-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-4-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 155437022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).