3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine

C14H11Cl2N5 — CID 11500704

IUPAC3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine
SMILESCc1ncccc1Cn1nnnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N5/c1-9-10(4-3-7-17-9)8-21-14(18-19-20-21)11-5-2-6-12(15)13(11)16/h2-7H,8H2,1H3
InChIKeyUYHSACNMUUOJFJ-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.40
Rot. Bonds3

About 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine

3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine (PubChem CID 11500704) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine.

Molecular Properties

Compound Name3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine
PubChem CID11500704
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine
SMILESCc1ncccc1Cn1nnnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N5/c1-9-10(4-3-7-17-9)8-21-14(18-19-20-21)11-5-2-6-12(15)13(11)16/h2-7H,8H2,1H3
InChIKeyUYHSACNMUUOJFJ-UHFFFAOYSA-N
XLogP3.40
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine?
The IUPAC name of 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine (CID 11500704) is 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine.
What is the SMILES notation for 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine?
The canonical SMILES for 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine is Cc1ncccc1Cn1nnnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine?
The InChIKey is UYHSACNMUUOJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-9-10(4-3-7-17-9)8-21-14(18-19-20-21)11-5-2-6-12(15)13(11)16/h2-7H,8H2,1H3.
What are the key properties of 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine?
3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine has a molecular weight of 320.18 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-2-methylpyridine is sourced from PubChem (CID 11500704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).