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

C12H7Cl2N5 — CID 155514958

IUPAC3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine
SMILESClc1cccc(-n2nnnc2-c2cccnc2)c1Cl
InChIInChI=1S/C12H7Cl2N5/c13-9-4-1-5-10(11(9)14)19-12(16-17-18-19)8-3-2-6-15-7-8/h1-7H
InChIKeyWLTLLQKNWOQIDH-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.03
Rot. Bonds2

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

3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine (PubChem CID 155514958) has the molecular formula C12H7Cl2N5 and a molecular weight of 292.13 g/mol. Its IUPAC name is 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine
PubChem CID155514958
Molecular FormulaC12H7Cl2N5
Molecular Weight292.13 g/mol
Exact Mass291.01
IUPAC Name3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine
SMILESClc1cccc(-n2nnnc2-c2cccnc2)c1Cl
InChIInChI=1S/C12H7Cl2N5/c13-9-4-1-5-10(11(9)14)19-12(16-17-18-19)8-3-2-6-15-7-8/h1-7H
InChIKeyWLTLLQKNWOQIDH-UHFFFAOYSA-N
XLogP3.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

A-438079
CID 11673921
3-[1-(4-chlorophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(trifluoromethyl)pyridine
CID 2727066
3-{[5-(2,3-dichlorophenyl)-1H-tetraazol-1-yl]methyl}-2-methylpyridine
CID 11500704
2-((5-(2,3-Dichlorophenyl)-1H-tetrazol-1-YL)methyl)pyridine
CID 11507787
3-[[1-(2,3-Dichloro-4-fluorophenyl)tetrazol-5-yl]methyl]pyridine
CID 11530593
3-{[5-(2,3,4-trichlorophenyl)-1H-tetraazol-1-yl]methyl}pyridine
CID 11537418
4-{[5-(2,3-dichlorophenyl)-1H-tetraazol-1-yl]methyl}pyridine
CID 11566345
3-[[5-(2,3-Dichloro-4-fluorophenyl)tetrazol-1-yl]methyl]pyridine
CID 11574070
3-[[1-[2-Chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine
CID 11610500
3-{[1-(2,3-dichlorophenyl)-1H-tetraazol-5-yl]methyl}pyridine
CID 11630893
3-[[1-[2-Chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine
CID 11653349
N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
CID 16678190

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine?
The IUPAC name of 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine (CID 155514958) is 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine.
What is the SMILES notation for 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine?
The canonical SMILES for 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine is Clc1cccc(-n2nnnc2-c2cccnc2)c1Cl.
What is the InChIKey of 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine?
The InChIKey is WLTLLQKNWOQIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N5/c13-9-4-1-5-10(11(9)14)19-12(16-17-18-19)8-3-2-6-15-7-8/h1-7H.
What are the key properties of 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine?
3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine has a molecular weight of 292.13 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridine is sourced from PubChem (CID 155514958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).