4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine

C13H9Cl2N5 — CID 11566345

IUPAC4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine
SMILESClc1cccc(-c2nnnn2Cc2ccncc2)c1Cl
InChIInChI=1S/C13H9Cl2N5/c14-11-3-1-2-10(12(11)15)13-17-18-19-20(13)8-9-4-6-16-7-5-9/h1-7H,8H2
InChIKeyKYESEAQRWRXGCA-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.09
Rot. Bonds3

About 4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine

4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine (PubChem CID 11566345) has the molecular formula C13H9Cl2N5 and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine
PubChem CID11566345
Molecular FormulaC13H9Cl2N5
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine
SMILESClc1cccc(-c2nnnn2Cc2ccncc2)c1Cl
InChIInChI=1S/C13H9Cl2N5/c14-11-3-1-2-10(12(11)15)13-17-18-19-20(13)8-9-4-6-16-7-5-9/h1-7H,8H2
InChIKeyKYESEAQRWRXGCA-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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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine?
The IUPAC name of 4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine (CID 11566345) is 4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine is Clc1cccc(-c2nnnn2Cc2ccncc2)c1Cl.
What is the InChIKey of 4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine?
The InChIKey is KYESEAQRWRXGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5/c14-11-3-1-2-10(12(11)15)13-17-18-19-20(13)8-9-4-6-16-7-5-9/h1-7H,8H2.
What are the key properties of 4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine?
4-[[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 4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 11566345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).