5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole

C15H10ClFN6 — CID 177336999

IUPAC5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole
SMILESFc1c(Cl)cc2ccn(Cc3ccccn3)c2c1-c1nn[nH]n1
InChIInChI=1S/C15H10ClFN6/c16-11-7-9-4-6-23(8-10-3-1-2-5-18-10)14(9)12(13(11)17)15-19-21-22-20-15/h1-7H,8H2,(H,19,20,21,22)
InChIKeyYAYZSGRVTNCDQK-UHFFFAOYSA-N
MW328.74 g/mol
LogP3.06
Rot. Bonds3

About 5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole

5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole (PubChem CID 177336999) has the molecular formula C15H10ClFN6 and a molecular weight of 328.74 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole
PubChem CID177336999
Molecular FormulaC15H10ClFN6
Molecular Weight328.74 g/mol
Exact Mass328.06
IUPAC Name5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole
SMILESFc1c(Cl)cc2ccn(Cc3ccccn3)c2c1-c1nn[nH]n1
InChIInChI=1S/C15H10ClFN6/c16-11-7-9-4-6-23(8-10-3-1-2-5-18-10)14(9)12(13(11)17)15-19-21-22-20-15/h1-7H,8H2,(H,19,20,21,22)
InChIKeyYAYZSGRVTNCDQK-UHFFFAOYSA-N
XLogP3.06
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole?
The IUPAC name of 5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole (CID 177336999) is 5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole.
What is the SMILES notation for 5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole?
The canonical SMILES for 5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole is Fc1c(Cl)cc2ccn(Cc3ccccn3)c2c1-c1nn[nH]n1.
What is the InChIKey of 5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole?
The InChIKey is YAYZSGRVTNCDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN6/c16-11-7-9-4-6-23(8-10-3-1-2-5-18-10)14(9)12(13(11)17)15-19-21-22-20-15/h1-7H,8H2,(H,19,20,21,22).
What are the key properties of 5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole?
5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole has a molecular weight of 328.74 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(pyridin-2-ylmethyl)-7-(2H-tetrazol-5-yl)indole is sourced from PubChem (CID 177336999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).