ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate

C9H10N6O2 — CID 170434323

IUPACethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(N)cc1-c1nn[nH]n1
InChIInChI=1S/C9H10N6O2/c1-2-17-9(16)7-6(3-5(10)4-11-7)8-12-14-15-13-8/h3-4H,2,10H2,1H3,(H,12,13,14,15)
InChIKeyGFABPTQMEDANFC-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.02
Rot. Bonds3

About ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate

ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate (PubChem CID 170434323) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate
PubChem CID170434323
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Nameethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(N)cc1-c1nn[nH]n1
InChIInChI=1S/C9H10N6O2/c1-2-17-9(16)7-6(3-5(10)4-11-7)8-12-14-15-13-8/h3-4H,2,10H2,1H3,(H,12,13,14,15)
InChIKeyGFABPTQMEDANFC-UHFFFAOYSA-N
XLogP0.02
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid
CID 175581544
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
ethyl 5-aminopyridazine-3-carboxylate
CID 58897536
ethyl 5-(5-amino-2-pyridinyl)pyridine-3-carboxylate;hydrochloride
CID 139271487
ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
CID 123135469
ethyl 2H-tetrazole-5-carboxylate;molecular hydrogen
CID 155716466
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 130116351
5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
CID 175722071
CID 175722071

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate (CID 170434323) is ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate is CCOC(=O)c1ncc(N)cc1-c1nn[nH]n1.
What is the InChIKey of ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate?
The InChIKey is GFABPTQMEDANFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-2-17-9(16)7-6(3-5(10)4-11-7)8-12-14-15-13-8/h3-4H,2,10H2,1H3,(H,12,13,14,15).
What are the key properties of ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate?
ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate has a molecular weight of 234.22 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-(2H-tetrazol-5-yl)pyridine-2-carboxylate is sourced from PubChem (CID 170434323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).