ethyl tetrazolo[1,5-a]pyridine-8-carboxylate

C8H8N4O2 — CID 102030693

IUPACethyl tetrazolo[1,5-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2nnnc12
InChIInChI=1S/C8H8N4O2/c1-2-14-8(13)6-4-3-5-12-7(6)9-10-11-12/h3-5H,2H2,1H3
InChIKeyHJPGXRQWRGMTBM-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.30
Rot. Bonds2

About ethyl tetrazolo[1,5-a]pyridine-8-carboxylate

ethyl tetrazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 102030693) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is ethyl tetrazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl tetrazolo[1,5-a]pyridine-8-carboxylate
PubChem CID102030693
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Nameethyl tetrazolo[1,5-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2nnnc12
InChIInChI=1S/C8H8N4O2/c1-2-14-8(13)6-4-3-5-12-7(6)9-10-11-12/h3-5H,2H2,1H3
InChIKeyHJPGXRQWRGMTBM-UHFFFAOYSA-N
XLogP0.30
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012
ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
diethyl 2-nitrobenzene-1,3-dicarboxylate
CID 51358457
ethyl 8-carbamoylimidazo[1,2-a]pyridine-2-carboxylate
CID 143716769
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
ethyl 2-pyrrol-1-ylbenzoate
CID 12673310
ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 58137767
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate
CID 59539012

Frequently Asked Questions

What is the IUPAC name of ethyl tetrazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of ethyl tetrazolo[1,5-a]pyridine-8-carboxylate (CID 102030693) is ethyl tetrazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl tetrazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl tetrazolo[1,5-a]pyridine-8-carboxylate is CCOC(=O)c1cccn2nnnc12.
What is the InChIKey of ethyl tetrazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is HJPGXRQWRGMTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-2-14-8(13)6-4-3-5-12-7(6)9-10-11-12/h3-5H,2H2,1H3.
What are the key properties of ethyl tetrazolo[1,5-a]pyridine-8-carboxylate?
ethyl tetrazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 192.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl tetrazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 102030693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).