2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine

C14H10IN3 — CID 54219952

IUPAC2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
SMILESIc1ccc(-c2[nH]ncc2-c2ccccn2)cc1
InChIInChI=1S/C14H10IN3/c15-11-6-4-10(5-7-11)14-12(9-17-18-14)13-3-1-2-8-16-13/h1-9H,(H,17,18)
InChIKeyQBWJPWJMPFUHKU-UHFFFAOYSA-N
MW347.16 g/mol
LogP3.74
Rot. Bonds2

About 2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine

2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine (PubChem CID 54219952) has the molecular formula C14H10IN3 and a molecular weight of 347.16 g/mol. Its IUPAC name is 2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
PubChem CID54219952
Molecular FormulaC14H10IN3
Molecular Weight347.16 g/mol
Exact Mass346.99
IUPAC Name2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
SMILESIc1ccc(-c2[nH]ncc2-c2ccccn2)cc1
InChIInChI=1S/C14H10IN3/c15-11-6-4-10(5-7-11)14-12(9-17-18-14)13-3-1-2-8-16-13/h1-9H,(H,17,18)
InChIKeyQBWJPWJMPFUHKU-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037377
2-(5-methyl-1H-pyrazol-4-yl)-5-pyridin-2-ylpyridine
CID 53486977
6-(5-pyridin-2-yl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine
CID 23537380
2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11522294
5-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,2-benzoxazole
CID 10244433
2-(5-pyridin-4-yl-1H-pyrazol-4-yl)quinoxaline
CID 3480827
2-(5-pyridin-2-yl-1H-pyrazol-4-yl)acetic acid
CID 121213660
2-(4-fluorophenyl)-4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyridine
CID 141095132
6-[5-[4-(6-methoxy-3-pyridinyl)phenyl]-1H-pyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
CID 22032509
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine;trihydrochloride
CID 22031505
2-[5-(1H-pyrazol-5-yloxy)-1H-pyrazol-4-yl]pyridine
CID 175689474
2-chloro-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidine
CID 22037213

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine (CID 54219952) is 2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine is Ic1ccc(-c2[nH]ncc2-c2ccccn2)cc1.
What is the InChIKey of 2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is QBWJPWJMPFUHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3/c15-11-6-4-10(5-7-11)14-12(9-17-18-14)13-3-1-2-8-16-13/h1-9H,(H,17,18).
What are the key properties of 2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine?
2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 347.16 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-iodophenyl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 54219952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).