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

C14H12Cl3N5 — CID 11602876

IUPAC3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride
SMILESCl.Clc1cccc(-c2nnnn2CCc2cccnc2)c1Cl
InChIInChI=1S/C14H11Cl2N5.ClH/c15-12-5-1-4-11(13(12)16)14-18-19-20-21(14)8-6-10-3-2-7-17-9-10;/h1-5,7,9H,6,8H2;1H
InChIKeyUKZRPMVXADYUSK-UHFFFAOYSA-N
MW356.64 g/mol
LogP3.71
Rot. Bonds4

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

3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride (PubChem CID 11602876) has the molecular formula C14H12Cl3N5 and a molecular weight of 356.64 g/mol. Its IUPAC name is 3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride
PubChem CID11602876
Molecular FormulaC14H12Cl3N5
Molecular Weight356.64 g/mol
Exact Mass355.02
IUPAC Name3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride
SMILESCl.Clc1cccc(-c2nnnn2CCc2cccnc2)c1Cl
InChIInChI=1S/C14H11Cl2N5.ClH/c15-12-5-1-4-11(13(12)16)14-18-19-20-21(14)8-6-10-3-2-7-17-9-10;/h1-5,7,9H,6,8H2;1H
InChIKeyUKZRPMVXADYUSK-UHFFFAOYSA-N
XLogP3.71
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.64
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-[1-(2-phenylethyl)tetrazol-5-yl]aniline
CID 115547909
4-[5-(2,3-dichlorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541594
5-(2,3-dichlorophenyl)-1-[(2-phenylmethoxyphenyl)methyl]tetrazole
CID 23019879
3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 11617680
1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-5-(2,3-dichlorophenyl)tetrazole
CID 23020048
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine
CID 114182228
3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol
CID 84759515
5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine
CID 79542579
3-[[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]methyl]pyridine
CID 150611766
3-[4-chloro-2-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]phenyl]-1-methylazepane;hydrochloride
CID 23019946
2-chloro-6-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115548061

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride?
The IUPAC name of 3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride (CID 11602876) is 3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride.
What is the SMILES notation for 3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride?
The canonical SMILES for 3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride is Cl.Clc1cccc(-c2nnnn2CCc2cccnc2)c1Cl.
What is the InChIKey of 3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride?
The InChIKey is UKZRPMVXADYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5.ClH/c15-12-5-1-4-11(13(12)16)14-18-19-20-21(14)8-6-10-3-2-7-17-9-10;/h1-5,7,9H,6,8H2;1H.
What are the key properties of 3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride?
3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride has a molecular weight of 356.64 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(2,3-dichlorophenyl)tetrazol-1-yl]ethyl]pyridine;hydrochloride is sourced from PubChem (CID 11602876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).