3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine

C18H12N8 — CID 10125913

IUPAC3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine
SMILESc1ccc(-c2nnn(-c3cccc(-n4cnc5ccncc54)c3)n2)nc1
InChIInChI=1S/C18H12N8/c1-2-8-20-16(6-1)18-22-24-26(23-18)14-5-3-4-13(10-14)25-12-21-15-7-9-19-11-17(15)25/h1-12H
InChIKeyJMXSQPJPBDDGGH-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.46
Rot. Bonds3

About 3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine

3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine (PubChem CID 10125913) has the molecular formula C18H12N8 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine
PubChem CID10125913
Molecular FormulaC18H12N8
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine
SMILESc1ccc(-c2nnn(-c3cccc(-n4cnc5ccncc54)c3)n2)nc1
InChIInChI=1S/C18H12N8/c1-2-8-20-16(6-1)18-22-24-26(23-18)14-5-3-4-13(10-14)25-12-21-15-7-9-19-11-17(15)25/h1-12H
InChIKeyJMXSQPJPBDDGGH-UHFFFAOYSA-N
XLogP2.46
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone
CID 58929263
2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine
CID 68616100
ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine
CID 142231939
2-pyridin-3-yl-5-(5-pyridin-2-yltetrazol-2-yl)pyridine
CID 10149553
2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine
CID 58929318
2-[2-(2,6-dichlorophenyl)tetrazol-5-yl]pyridine
CID 58929285
1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine
CID 69152982
2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine
CID 58929286
1-[2-fluoro-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrrolo[2,3-b]pyridine
CID 10172350
3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline
CID 142807301
5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine
CID 69151599
3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine
CID 73213040

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine (CID 10125913) is 3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine is c1ccc(-c2nnn(-c3cccc(-n4cnc5ccncc54)c3)n2)nc1.
What is the InChIKey of 3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine?
The InChIKey is JMXSQPJPBDDGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N8/c1-2-8-20-16(6-1)18-22-24-26(23-18)14-5-3-4-13(10-14)25-12-21-15-7-9-19-11-17(15)25/h1-12H.
What are the key properties of 3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine?
3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine has a molecular weight of 340.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 10125913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).