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

C14H9ClFN3 — CID 51588297

IUPAC4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2[nH]ncc2-c2ccncc2)cc1Cl
InChIInChI=1S/C14H9ClFN3/c15-12-7-10(1-2-13(12)16)14-11(8-18-19-14)9-3-5-17-6-4-9/h1-8H,(H,18,19)
InChIKeyQQVNBXBVKFVKFZ-UHFFFAOYSA-N
MW273.70 g/mol
LogP3.93
Rot. Bonds2

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

4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine (PubChem CID 51588297) has the molecular formula C14H9ClFN3 and a molecular weight of 273.70 g/mol. Its IUPAC name is 4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
PubChem CID51588297
Molecular FormulaC14H9ClFN3
Molecular Weight273.70 g/mol
Exact Mass273.05
IUPAC Name4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2[nH]ncc2-c2ccncc2)cc1Cl
InChIInChI=1S/C14H9ClFN3/c15-12-7-10(1-2-13(12)16)14-11(8-18-19-14)9-3-5-17-6-4-9/h1-8H,(H,18,19)
InChIKeyQQVNBXBVKFVKFZ-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine (CID 51588297) is 4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine is Fc1ccc(-c2[nH]ncc2-c2ccncc2)cc1Cl.
What is the InChIKey of 4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is QQVNBXBVKFVKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3/c15-12-7-10(1-2-13(12)16)14-11(8-18-19-14)9-3-5-17-6-4-9/h1-8H,(H,18,19).
What are the key properties of 4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine?
4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 273.70 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 51588297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).