5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine

C14H13FN4O2 — CID 141320437

IUPAC5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine
SMILESCOCCOc1ccc(-c2ccc3n[nH]nc3n2)cc1F
InChIInChI=1S/C14H13FN4O2/c1-20-6-7-21-13-5-2-9(8-10(13)15)11-3-4-12-14(16-11)18-19-17-12/h2-5,8H,6-7H2,1H3,(H,16,17,18,19)
InChIKeyDPUYDBPLJNVHAH-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.18
Rot. Bonds5

About 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine

5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine (PubChem CID 141320437) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine
PubChem CID141320437
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine
SMILESCOCCOc1ccc(-c2ccc3n[nH]nc3n2)cc1F
InChIInChI=1S/C14H13FN4O2/c1-20-6-7-21-13-5-2-9(8-10(13)15)11-3-4-12-14(16-11)18-19-17-12/h2-5,8H,6-7H2,1H3,(H,16,17,18,19)
InChIKeyDPUYDBPLJNVHAH-UHFFFAOYSA-N
XLogP2.18
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
2-chloro-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-5-propyl-1,3-thiazole
CID 167489516
[4-[3,4-bis(2-methoxyethoxy)phenyl]-2-fluorophenyl] formate
CID 146330939
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561789
6-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 59199210
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 107692822
[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
CID 82479798

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine?
The IUPAC name of 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine (CID 141320437) is 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine.
What is the SMILES notation for 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine?
The canonical SMILES for 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine is COCCOc1ccc(-c2ccc3n[nH]nc3n2)cc1F.
What is the InChIKey of 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine?
The InChIKey is DPUYDBPLJNVHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-20-6-7-21-13-5-2-9(8-10(13)15)11-3-4-12-14(16-11)18-19-17-12/h2-5,8H,6-7H2,1H3,(H,16,17,18,19).
What are the key properties of 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine?
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine has a molecular weight of 288.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2H-triazolo[4,5-b]pyridine is sourced from PubChem (CID 141320437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).