methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate

C14H10F2N6O2 — CID 58180094

IUPACmethyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(-c2nnnn2-c2cccc(F)c2F)c1
InChIInChI=1S/C14H10F2N6O2/c1-24-14(23)7-5-8(12(17)18-6-7)13-19-20-21-22(13)10-4-2-3-9(15)11(10)16/h2-6H,1H3,(H2,17,18)
InChIKeyDMQYKAHIUMOOGD-UHFFFAOYSA-N
MW332.27 g/mol
LogP1.37
Rot. Bonds3

About methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate

methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate (PubChem CID 58180094) has the molecular formula C14H10F2N6O2 and a molecular weight of 332.27 g/mol. Its IUPAC name is methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate
PubChem CID58180094
Molecular FormulaC14H10F2N6O2
Molecular Weight332.27 g/mol
Exact Mass332.08
IUPAC Namemethyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(-c2nnnn2-c2cccc(F)c2F)c1
InChIInChI=1S/C14H10F2N6O2/c1-24-14(23)7-5-8(12(17)18-6-7)13-19-20-21-22(13)10-4-2-3-9(15)11(10)16/h2-6H,1H3,(H2,17,18)
InChIKeyDMQYKAHIUMOOGD-UHFFFAOYSA-N
XLogP1.37
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate (CID 58180094) is methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate is COC(=O)c1cnc(N)c(-c2nnnn2-c2cccc(F)c2F)c1.
What is the InChIKey of methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate?
The InChIKey is DMQYKAHIUMOOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N6O2/c1-24-14(23)7-5-8(12(17)18-6-7)13-19-20-21-22(13)10-4-2-3-9(15)11(10)16/h2-6H,1H3,(H2,17,18).
What are the key properties of methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate?
methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate has a molecular weight of 332.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridine-3-carboxylate is sourced from PubChem (CID 58180094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).