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

C13H9Cl2N5 — CID 11673921

IUPAC3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine
SMILESClc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
InChIInChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
InChIKeyMMPAULQSJLVKHP-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.09
Rot. Bonds3

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

3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine (PubChem CID 11673921) has the molecular formula C13H9Cl2N5 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine
PubChem CID11673921
Molecular FormulaC13H9Cl2N5
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine
SMILESClc1cccc(-c2nnnn2Cc2cccnc2)c1Cl
InChIInChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2
InChIKeyMMPAULQSJLVKHP-UHFFFAOYSA-N
XLogP3.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dichlorophenyl)-3-(pyridin-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3796877
3-[1-(4-chlorophenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(trifluoromethyl)pyridine
CID 2727066
2-[4-[4-[(3-Chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10474163
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-({5-[2-chloro-3-(trifluoromethyl)phenyl]-1H-tetraazol-1-yl}methyl)pyridine
CID 11530196
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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine (CID 11673921) is 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine is Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl.
What is the InChIKey of 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine?
The InChIKey is MMPAULQSJLVKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7H,8H2.
What are the key properties of 3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine?
3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine has a molecular weight of 306.16 g/mol, XLogP of 3.09, 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]pyridine is sourced from PubChem (CID 11673921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).