6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile

C13H6BrClN6S — CID 133464853

IUPAC6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile
SMILESN#Cc1cnc(Sc2nnnn2-c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C13H6BrClN6S/c14-9-1-3-10(4-2-9)21-13(18-19-20-21)22-12-11(15)5-8(6-16)7-17-12/h1-5,7H
InChIKeyPRQQRWWFEIYMOQ-UHFFFAOYSA-N
MW393.66 g/mol
LogP3.50
Rot. Bonds3

About 6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile

6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile (PubChem CID 133464853) has the molecular formula C13H6BrClN6S and a molecular weight of 393.66 g/mol. Its IUPAC name is 6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile
PubChem CID133464853
Molecular FormulaC13H6BrClN6S
Molecular Weight393.66 g/mol
Exact Mass391.92
IUPAC Name6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile
SMILESN#Cc1cnc(Sc2nnnn2-c2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C13H6BrClN6S/c14-9-1-3-10(4-2-9)21-13(18-19-20-21)22-12-11(15)5-8(6-16)7-17-12/h1-5,7H
InChIKeyPRQQRWWFEIYMOQ-UHFFFAOYSA-N
XLogP3.50
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.66
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine
CID 2460313
7-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133464852
7-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133464815
4-[5-[(3-chloro-4-pyridinyl)sulfanyl]tetrazol-1-yl]phenol
CID 79841516
3-[1-(4-bromophenyl)tetrazol-5-yl]-4-chloroaniline
CID 61377193
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-(trifluoromethyl)-1,3-thiazole
CID 133464829
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3-thiazole
CID 18778747
5-[2-(4-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole
CID 2691118
2-(4-bromophenyl)-5-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 16535773
4-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18709404
3-chloro-4-(1-phenyltetrazol-5-yl)sulfanylaniline
CID 594148
1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
CID 11291381

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile?
The IUPAC name of 6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile (CID 133464853) is 6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile is N#Cc1cnc(Sc2nnnn2-c2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of 6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile?
The InChIKey is PRQQRWWFEIYMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClN6S/c14-9-1-3-10(4-2-9)21-13(18-19-20-21)22-12-11(15)5-8(6-16)7-17-12/h1-5,7H.
What are the key properties of 6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile?
6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile has a molecular weight of 393.66 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-5-chloropyridine-3-carbonitrile is sourced from PubChem (CID 133464853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).