2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine

C18H19FN6 — CID 91618245

IUPAC2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine
SMILESCn1cnnc1C1CCN(c2ncccc2-c2ccc(F)nc2)CC1
InChIInChI=1S/C18H19FN6/c1-24-12-22-23-17(24)13-6-9-25(10-7-13)18-15(3-2-8-20-18)14-4-5-16(19)21-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyAJIAMIPUWJQSPR-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.80
Rot. Bonds3

About 2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine

2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine (PubChem CID 91618245) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine
PubChem CID91618245
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine
SMILESCn1cnnc1C1CCN(c2ncccc2-c2ccc(F)nc2)CC1
InChIInChI=1S/C18H19FN6/c1-24-12-22-23-17(24)13-6-9-25(10-7-13)18-15(3-2-8-20-18)14-4-5-16(19)21-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyAJIAMIPUWJQSPR-UHFFFAOYSA-N
XLogP2.80
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine?
The IUPAC name of 2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine (CID 91618245) is 2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine.
What is the SMILES notation for 2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine?
The canonical SMILES for 2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine is Cn1cnnc1C1CCN(c2ncccc2-c2ccc(F)nc2)CC1.
What is the InChIKey of 2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine?
The InChIKey is AJIAMIPUWJQSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c1-24-12-22-23-17(24)13-6-9-25(10-7-13)18-15(3-2-8-20-18)14-4-5-16(19)21-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3.
What are the key properties of 2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine?
2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine has a molecular weight of 338.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]pyridine is sourced from PubChem (CID 91618245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).