6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline

C17H12FN5 — CID 11301185

IUPAC6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline
SMILESCc1c(-c2ccc3ncccc3c2)nnn1-c1cccnc1F
InChIInChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3
InChIKeyRTUBNVSZHGWRCV-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.33
Rot. Bonds2

About 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline

6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline (PubChem CID 11301185) has the molecular formula C17H12FN5 and a molecular weight of 305.32 g/mol. Its IUPAC name is 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline
PubChem CID11301185
Molecular FormulaC17H12FN5
Molecular Weight305.32 g/mol
Exact Mass305.11
IUPAC Name6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline
SMILESCc1c(-c2ccc3ncccc3c2)nnn1-c1cccnc1F
InChIInChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3
InChIKeyRTUBNVSZHGWRCV-UHFFFAOYSA-N
XLogP3.33
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline?
The IUPAC name of 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline (CID 11301185) is 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline.
What is the SMILES notation for 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline?
The canonical SMILES for 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline is Cc1c(-c2ccc3ncccc3c2)nnn1-c1cccnc1F.
What is the InChIKey of 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline?
The InChIKey is RTUBNVSZHGWRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3.
What are the key properties of 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline?
6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline has a molecular weight of 305.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]quinoline is sourced from PubChem (CID 11301185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).