7-fluoro-3-(2H-triazol-4-yl)isoquinoline

C11H7FN4 — CID 175748220

IUPAC7-fluoro-3-(2H-triazol-4-yl)isoquinoline
SMILESFc1ccc2cc(-c3cn[nH]n3)ncc2c1
InChIInChI=1S/C11H7FN4/c12-9-2-1-7-4-10(11-6-14-16-15-11)13-5-8(7)3-9/h1-6H,(H,14,15,16)
InChIKeyRMBZMVZNZYEJNV-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.16
Rot. Bonds1

About 7-fluoro-3-(2H-triazol-4-yl)isoquinoline

7-fluoro-3-(2H-triazol-4-yl)isoquinoline (PubChem CID 175748220) has the molecular formula C11H7FN4 and a molecular weight of 214.20 g/mol. Its IUPAC name is 7-fluoro-3-(2H-triazol-4-yl)isoquinoline.

Molecular Properties

Compound Name7-fluoro-3-(2H-triazol-4-yl)isoquinoline
PubChem CID175748220
Molecular FormulaC11H7FN4
Molecular Weight214.20 g/mol
Exact Mass214.07
IUPAC Name7-fluoro-3-(2H-triazol-4-yl)isoquinoline
SMILESFc1ccc2cc(-c3cn[nH]n3)ncc2c1
InChIInChI=1S/C11H7FN4/c12-9-2-1-7-4-10(11-6-14-16-15-11)13-5-8(7)3-9/h1-6H,(H,14,15,16)
InChIKeyRMBZMVZNZYEJNV-UHFFFAOYSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-pyridin-3-ylisoquinoline
CID 25058388
4-(2-bromo-5-fluorophenyl)-2H-triazole
CID 130802462
3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline
CID 25058376
3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole
CID 159940619
6-fluoro-3-[6-(6-fluoroisoquinolin-3-yl)dibenzothiophen-4-yl]isoquinoline
CID 171419675
5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 167762807
N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine
CID 122390454
3-[5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
CID 169293981
5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridin-3-ylpyridine
CID 169294016
4-(4-bromo-2-fluorophenyl)-2H-triazole
CID 130873636
[5-(6-fluoro-1H-indol-2-yl)pyrazin-2-yl]methanamine
CID 82387029
3,8-bis(4-fluorophenyl)-1,10-phenanthroline;rhenium
CID 59104701

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2H-triazol-4-yl)isoquinoline?
The IUPAC name of 7-fluoro-3-(2H-triazol-4-yl)isoquinoline (CID 175748220) is 7-fluoro-3-(2H-triazol-4-yl)isoquinoline.
What is the SMILES notation for 7-fluoro-3-(2H-triazol-4-yl)isoquinoline?
The canonical SMILES for 7-fluoro-3-(2H-triazol-4-yl)isoquinoline is Fc1ccc2cc(-c3cn[nH]n3)ncc2c1.
What is the InChIKey of 7-fluoro-3-(2H-triazol-4-yl)isoquinoline?
The InChIKey is RMBZMVZNZYEJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4/c12-9-2-1-7-4-10(11-6-14-16-15-11)13-5-8(7)3-9/h1-6H,(H,14,15,16).
What are the key properties of 7-fluoro-3-(2H-triazol-4-yl)isoquinoline?
7-fluoro-3-(2H-triazol-4-yl)isoquinoline has a molecular weight of 214.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2H-triazol-4-yl)isoquinoline is sourced from PubChem (CID 175748220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).