4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine

C15H11ClFN3 — CID 24794785

IUPAC4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine
SMILESFc1cccc(Cl)c1Cc1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H11ClFN3/c16-13-2-1-3-14(17)12(13)8-11-9-15(20-19-11)10-4-6-18-7-5-10/h1-7,9H,8H2,(H,19,20)
InChIKeyHIPKLOMRXOIAEV-UHFFFAOYSA-N
MW287.73 g/mol
LogP3.86
Rot. Bonds3

About 4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine

4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine (PubChem CID 24794785) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine
PubChem CID24794785
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine
SMILESFc1cccc(Cl)c1Cc1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C15H11ClFN3/c16-13-2-1-3-14(17)12(13)8-11-9-15(20-19-11)10-4-6-18-7-5-10/h1-7,9H,8H2,(H,19,20)
InChIKeyHIPKLOMRXOIAEV-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine (CID 24794785) is 4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine is Fc1cccc(Cl)c1Cc1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of 4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine?
The InChIKey is HIPKLOMRXOIAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-13-2-1-3-14(17)12(13)8-11-9-15(20-19-11)10-4-6-18-7-5-10/h1-7,9H,8H2,(H,19,20).
What are the key properties of 4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine?
4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine has a molecular weight of 287.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 24794785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).