methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate

C11H8F2N6O2 — CID 118167912

IUPACmethyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(-n2nnnc2C(F)F)c2nccn2c1
InChIInChI=1S/C11H8F2N6O2/c1-21-11(20)6-4-7(9-14-2-3-18(9)5-6)19-10(8(12)13)15-16-17-19/h2-5,8H,1H3
InChIKeyPMWYVHFBECRWJB-UHFFFAOYSA-N
MW294.22 g/mol
LogP1.03
Rot. Bonds3

About methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 118167912) has the molecular formula C11H8F2N6O2 and a molecular weight of 294.22 g/mol. Its IUPAC name is methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID118167912
Molecular FormulaC11H8F2N6O2
Molecular Weight294.22 g/mol
Exact Mass294.07
IUPAC Namemethyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(-n2nnnc2C(F)F)c2nccn2c1
InChIInChI=1S/C11H8F2N6O2/c1-21-11(20)6-4-7(9-14-2-3-18(9)5-6)19-10(8(12)13)15-16-17-19/h2-5,8H,1H3
InChIKeyPMWYVHFBECRWJB-UHFFFAOYSA-N
XLogP1.03
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate (CID 118167912) is methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1cc(-n2nnnc2C(F)F)c2nccn2c1.
What is the InChIKey of methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is PMWYVHFBECRWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N6O2/c1-21-11(20)6-4-7(9-14-2-3-18(9)5-6)19-10(8(12)13)15-16-17-19/h2-5,8H,1H3.
What are the key properties of methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 294.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[5-(difluoromethyl)tetrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 118167912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).