3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine

C12H8ClN5 — CID 2799832

IUPAC3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine
SMILESClc1ccc(-c2nnnn2-c2cccnc2)cc1
InChIInChI=1S/C12H8ClN5/c13-10-5-3-9(4-6-10)12-15-16-17-18(12)11-2-1-7-14-8-11/h1-8H
InChIKeyAEHCAWDERYVPFH-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.38
Rot. Bonds2

About 3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine

3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine (PubChem CID 2799832) has the molecular formula C12H8ClN5 and a molecular weight of 257.68 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine
PubChem CID2799832
Molecular FormulaC12H8ClN5
Molecular Weight257.68 g/mol
Exact Mass257.05
IUPAC Name3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine
SMILESClc1ccc(-c2nnnn2-c2cccnc2)cc1
InChIInChI=1S/C12H8ClN5/c13-10-5-3-9(4-6-10)12-15-16-17-18(12)11-2-1-7-14-8-11/h1-8H
InChIKeyAEHCAWDERYVPFH-UHFFFAOYSA-N
XLogP2.38
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
CID 2799603
[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228170
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
3-[5-(trifluoromethyl)tetrazol-1-yl]pyridine
CID 18922515
3-(4-chloro-1-pyridin-3-ylpyrazol-5-yl)pyridine
CID 174760347
[4-[1-(3-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228168
3-(5-chloro-4-methylpyrazol-1-yl)pyridine
CID 19757098
1-(1-pyridin-3-yltetrazol-5-yl)ethanol
CID 173345359
3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 35164812
1,5-diphenyltetrazole;2-methyl-1,3-thiazole
CID 175112675
5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 61353255
3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine
CID 3164590

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine?
The IUPAC name of 3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine (CID 2799832) is 3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine.
What is the SMILES notation for 3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine?
The canonical SMILES for 3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine is Clc1ccc(-c2nnnn2-c2cccnc2)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine?
The InChIKey is AEHCAWDERYVPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5/c13-10-5-3-9(4-6-10)12-15-16-17-18(12)11-2-1-7-14-8-11/h1-8H.
What are the key properties of 3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine?
3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine has a molecular weight of 257.68 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)tetrazol-1-yl]pyridine is sourced from PubChem (CID 2799832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).