3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine

C15H9ClFN7 — CID 118978820

IUPAC3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
SMILESFc1cc(-c2nn[nH]n2)ccc1-c1ncc(-n2ccnc2)cc1Cl
InChIInChI=1S/C15H9ClFN7/c16-12-6-10(24-4-3-18-8-24)7-19-14(12)11-2-1-9(5-13(11)17)15-20-22-23-21-15/h1-8H,(H,20,21,22,23)
InChIKeyNVTCTPGMFAVCNH-UHFFFAOYSA-N
MW341.74 g/mol
LogP2.91
Rot. Bonds3

About 3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine

3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine (PubChem CID 118978820) has the molecular formula C15H9ClFN7 and a molecular weight of 341.74 g/mol. Its IUPAC name is 3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine.

Molecular Properties

Compound Name3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
PubChem CID118978820
Molecular FormulaC15H9ClFN7
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC Name3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
SMILESFc1cc(-c2nn[nH]n2)ccc1-c1ncc(-n2ccnc2)cc1Cl
InChIInChI=1S/C15H9ClFN7/c16-12-6-10(24-4-3-18-8-24)7-19-14(12)11-2-1-9(5-13(11)17)15-20-22-23-21-15/h1-8H,(H,20,21,22,23)
InChIKeyNVTCTPGMFAVCNH-UHFFFAOYSA-N
XLogP2.91
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine 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 3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
The IUPAC name of 3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine (CID 118978820) is 3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine.
What is the SMILES notation for 3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
The canonical SMILES for 3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine is Fc1cc(-c2nn[nH]n2)ccc1-c1ncc(-n2ccnc2)cc1Cl.
What is the InChIKey of 3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
The InChIKey is NVTCTPGMFAVCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN7/c16-12-6-10(24-4-3-18-8-24)7-19-14(12)11-2-1-9(5-13(11)17)15-20-22-23-21-15/h1-8H,(H,20,21,22,23).
What are the key properties of 3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine has a molecular weight of 341.74 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine is sourced from PubChem (CID 118978820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).