3-chloro-2-(2H-tetrazol-5-yl)-1H-indole

C9H6ClN5 — CID 137174828

IUPAC3-chloro-2-(2H-tetrazol-5-yl)-1H-indole
SMILESClc1c(-c2nn[nH]n2)[nH]c2ccccc12
InChIInChI=1S/C9H6ClN5/c10-7-5-3-1-2-4-6(5)11-8(7)9-12-14-15-13-9/h1-4,11H,(H,12,13,14,15)
InChIKeyWCPGFINXKMTRHC-UHFFFAOYSA-N
MW219.64 g/mol
LogP2.00
Rot. Bonds1

About 3-chloro-2-(2H-tetrazol-5-yl)-1H-indole

3-chloro-2-(2H-tetrazol-5-yl)-1H-indole (PubChem CID 137174828) has the molecular formula C9H6ClN5 and a molecular weight of 219.64 g/mol. Its IUPAC name is 3-chloro-2-(2H-tetrazol-5-yl)-1H-indole.

Molecular Properties

Compound Name3-chloro-2-(2H-tetrazol-5-yl)-1H-indole
PubChem CID137174828
Molecular FormulaC9H6ClN5
Molecular Weight219.64 g/mol
Exact Mass219.03
IUPAC Name3-chloro-2-(2H-tetrazol-5-yl)-1H-indole
SMILESClc1c(-c2nn[nH]n2)[nH]c2ccccc12
InChIInChI=1S/C9H6ClN5/c10-7-5-3-1-2-4-6(5)11-8(7)9-12-14-15-13-9/h1-4,11H,(H,12,13,14,15)
InChIKeyWCPGFINXKMTRHC-UHFFFAOYSA-N
XLogP2.00
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2H-tetrazol-5-yl)-1H-indole?
The IUPAC name of 3-chloro-2-(2H-tetrazol-5-yl)-1H-indole (CID 137174828) is 3-chloro-2-(2H-tetrazol-5-yl)-1H-indole.
What is the SMILES notation for 3-chloro-2-(2H-tetrazol-5-yl)-1H-indole?
The canonical SMILES for 3-chloro-2-(2H-tetrazol-5-yl)-1H-indole is Clc1c(-c2nn[nH]n2)[nH]c2ccccc12.
What is the InChIKey of 3-chloro-2-(2H-tetrazol-5-yl)-1H-indole?
The InChIKey is WCPGFINXKMTRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5/c10-7-5-3-1-2-4-6(5)11-8(7)9-12-14-15-13-9/h1-4,11H,(H,12,13,14,15).
What are the key properties of 3-chloro-2-(2H-tetrazol-5-yl)-1H-indole?
3-chloro-2-(2H-tetrazol-5-yl)-1H-indole has a molecular weight of 219.64 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2H-tetrazol-5-yl)-1H-indole is sourced from PubChem (CID 137174828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).